(2S)-4-hydroxy-1,2,6-trimethylpiperidine-3-carbonitrile

C9H16N2O — CID 134385177

IUPAC(2S)-4-hydroxy-1,2,6-trimethylpiperidine-3-carbonitrile
SMILESCC1CC(O)C(C#N)[C@H](C)N1C
InChIInChI=1S/C9H16N2O/c1-6-4-9(12)8(5-10)7(2)11(6)3/h6-9,12H,4H2,1-3H3/t6?,7-,8?,9?/m0/s1
InChIKeyBCCGFHYGNAOFQJ-GIDQEGPBSA-N
MW168.24 g/mol
LogP0.60
Rot. Bonds

About (2S)-4-hydroxy-1,2,6-trimethylpiperidine-3-carbonitrile

(2S)-4-hydroxy-1,2,6-trimethylpiperidine-3-carbonitrile (PubChem CID 134385177) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (2S)-4-hydroxy-1,2,6-trimethylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name(2S)-4-hydroxy-1,2,6-trimethylpiperidine-3-carbonitrile
PubChem CID134385177
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(2S)-4-hydroxy-1,2,6-trimethylpiperidine-3-carbonitrile
SMILESCC1CC(O)C(C#N)[C@H](C)N1C
InChIInChI=1S/C9H16N2O/c1-6-4-9(12)8(5-10)7(2)11(6)3/h6-9,12H,4H2,1-3H3/t6?,7-,8?,9?/m0/s1
InChIKeyBCCGFHYGNAOFQJ-GIDQEGPBSA-N
XLogP0.60
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-4-hydroxy-1,2,6-trimethylpiperidine-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

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1,2,6-trimethylpiperidine-3-carbonitrile?
The IUPAC name of (2S)-4-hydroxy-1,2,6-trimethylpiperidine-3-carbonitrile (CID 134385177) is (2S)-4-hydroxy-1,2,6-trimethylpiperidine-3-carbonitrile.
What is the SMILES notation for (2S)-4-hydroxy-1,2,6-trimethylpiperidine-3-carbonitrile?
The canonical SMILES for (2S)-4-hydroxy-1,2,6-trimethylpiperidine-3-carbonitrile is CC1CC(O)C(C#N)[C@H](C)N1C.
What is the InChIKey of (2S)-4-hydroxy-1,2,6-trimethylpiperidine-3-carbonitrile?
The InChIKey is BCCGFHYGNAOFQJ-GIDQEGPBSA-N. The full InChI is InChI=1S/C9H16N2O/c1-6-4-9(12)8(5-10)7(2)11(6)3/h6-9,12H,4H2,1-3H3/t6?,7-,8?,9?/m0/s1.
What are the key properties of (2S)-4-hydroxy-1,2,6-trimethylpiperidine-3-carbonitrile?
(2S)-4-hydroxy-1,2,6-trimethylpiperidine-3-carbonitrile has a molecular weight of 168.24 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1,2,6-trimethylpiperidine-3-carbonitrile is sourced from PubChem (CID 134385177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).