(3S,6S)-1-ethyl-6-methylpiperidine-3-carbonitrile

C9H16N2 — CID 118178666

IUPAC(3S,6S)-1-ethyl-6-methylpiperidine-3-carbonitrile
SMILESCCN1C[C@@H](C#N)CC[C@@H]1C
InChIInChI=1S/C9H16N2/c1-3-11-7-9(6-10)5-4-8(11)2/h8-9H,3-5,7H2,1-2H3/t8-,9+/m0/s1
InChIKeyKBQHGCVGJVGUOP-DTWKUNHWSA-N
MW152.24 g/mol
LogP1.63
Rot. Bonds1

About (3S,6S)-1-ethyl-6-methylpiperidine-3-carbonitrile

(3S,6S)-1-ethyl-6-methylpiperidine-3-carbonitrile (PubChem CID 118178666) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (3S,6S)-1-ethyl-6-methylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name(3S,6S)-1-ethyl-6-methylpiperidine-3-carbonitrile
PubChem CID118178666
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(3S,6S)-1-ethyl-6-methylpiperidine-3-carbonitrile
SMILESCCN1C[C@@H](C#N)CC[C@@H]1C
InChIInChI=1S/C9H16N2/c1-3-11-7-9(6-10)5-4-8(11)2/h8-9H,3-5,7H2,1-2H3/t8-,9+/m0/s1
InChIKeyKBQHGCVGJVGUOP-DTWKUNHWSA-N
XLogP1.63
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S,6S)-1-ethyl-6-methylpiperidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-6-methylpiperidin-3-one
CID 566691
ethane;1-ethylpiperidine-4-carbonitrile
CID 178029721
1-ethyl-2,5-dimethyl-4-prop-2-ynylpiperazine
CID 130727541
(3R)-1-methylpyrrolidine-3-carbonitrile
CID 67523043
1-ethyl-2,5-dimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 165137727
6-ethynyl-1-methylpiperidine-3-carbonitrile
CID 123979955
(3R)-3-ethylcyclopentane-1-carbonitrile
CID 178017257
CID 177173282
CID 177173282
(2R,5S)-1-ethyl-4-[(E)-4-[(2S,5S)-4-ethyl-2,5-dimethylpiperazin-1-yl]but-2-enyl]-2,5-dimethylpiperazine
CID 124731738
ethane;1-ethyl-2-methylpyrrolidine;methanol
CID 144741574
ethane;1-ethyl-2-methylazepane
CID 145020951
ethane;trans-(1S,3S)-3-methylcyclopentane-1-carbonitrile
CID 167444933

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-1-ethyl-6-methylpiperidine-3-carbonitrile?
The IUPAC name of (3S,6S)-1-ethyl-6-methylpiperidine-3-carbonitrile (CID 118178666) is (3S,6S)-1-ethyl-6-methylpiperidine-3-carbonitrile.
What is the SMILES notation for (3S,6S)-1-ethyl-6-methylpiperidine-3-carbonitrile?
The canonical SMILES for (3S,6S)-1-ethyl-6-methylpiperidine-3-carbonitrile is CCN1C[C@@H](C#N)CC[C@@H]1C.
What is the InChIKey of (3S,6S)-1-ethyl-6-methylpiperidine-3-carbonitrile?
The InChIKey is KBQHGCVGJVGUOP-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-11-7-9(6-10)5-4-8(11)2/h8-9H,3-5,7H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of (3S,6S)-1-ethyl-6-methylpiperidine-3-carbonitrile?
(3S,6S)-1-ethyl-6-methylpiperidine-3-carbonitrile has a molecular weight of 152.24 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-1-ethyl-6-methylpiperidine-3-carbonitrile is sourced from PubChem (CID 118178666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).