Responsive image

Common name

(2S)-1-ethyl-2-methylpiperidine

IUPAC name

(2S)-1-ethyl-2-methylpiperidine

SMILES

CCN1[C@@H](C)CCCC1

Common name

(2S)-1-ethyl-2-methylpiperidine

IUPAC name

(2S)-1-ethyl-2-methylpiperidine

SMILES

CCN1[C@@H](C)CCCC1

INCHI

InChI=1S/C8H17N/c1-3-9-7-5-4-6-8(9)2/h8H,3-7H2,1-2H3/t8-/m0/s1

FORMULA

C8H17N

Responsive image

Common name

(2S)-1-ethyl-2-methylpiperidine

IUPAC name

(2S)-1-ethyl-2-methylpiperidine





Molecular weight

127.227

clogP

1.732

clogS

-1.512

Frequency

0.0003





HBond Acceptor

1

HBond Donor

0

Total Polar
Surface Area

3.24

Number of Rings

1

Rotatable Bond

1

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD03261 piperalin Responsive image Fungicide Fungicide
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
2bys_ligand_1_3.mol2 2bys 1 -6.93 C[C@H]1CCCC[N@@H+]1C 8
2bys_ligand_1_2.mol2 2bys 1 -6.90 C[C@@H]1CCCC[N@H+]1C 8
4i1r_ligand_1_1.mol2 4i1r 1 -5.83 C1CC[N@H+]([C@@H](C1)C)C 8
2bys_ligand_2_9.mol2 2bys 0.952381 -7.32 C[C@H]1CCC[C@@H](C)[N@@H+]1C 9
4dko_ligand_frag_1.mol2 4dko 0.952381 -6.24 C1CC([NH+](C(C1)(C)C)C)(C)C 11
4cik_ligand_1_0.mol2 4cik 0.95 -6.42 C[C@@H]1[NH2+]CCCC1 7
147 , 15