(3S,4R)-4-hydroxy-4-methylpiperidine-3-carbonitrile

C7H12N2O — CID 130972078

IUPAC(3S,4R)-4-hydroxy-4-methylpiperidine-3-carbonitrile
SMILESC[C@@]1(O)CCNC[C@H]1C#N
InChIInChI=1S/C7H12N2O/c1-7(10)2-3-9-5-6(7)4-8/h6,9-10H,2-3,5H2,1H3/t6-,7-/m1/s1
InChIKeyFGHJUQOEHVZZQY-RNFRBKRXSA-N
MW140.19 g/mol
LogP-0.13
Rot. Bonds

About (3S,4R)-4-hydroxy-4-methylpiperidine-3-carbonitrile

(3S,4R)-4-hydroxy-4-methylpiperidine-3-carbonitrile (PubChem CID 130972078) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (3S,4R)-4-hydroxy-4-methylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name(3S,4R)-4-hydroxy-4-methylpiperidine-3-carbonitrile
PubChem CID130972078
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(3S,4R)-4-hydroxy-4-methylpiperidine-3-carbonitrile
SMILESC[C@@]1(O)CCNC[C@H]1C#N
InChIInChI=1S/C7H12N2O/c1-7(10)2-3-9-5-6(7)4-8/h6,9-10H,2-3,5H2,1H3/t6-,7-/m1/s1
InChIKeyFGHJUQOEHVZZQY-RNFRBKRXSA-N
XLogP-0.13
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-4,4-difluoropiperidine-3-carbonitrile
CID 142278456
(3R,4S)-4-methylpiperidine-3,4-diol
CID 55285415
(3R)-3,4-dimethylpiperidin-4-ol
CID 153404832
4,4-dimethylpyrrolidine-3-carbonitrile
CID 121199312
3-(2-hydroxyethylsulfanyl)-4-methylpiperidin-4-ol
CID 130495487
3-fluoro-4-(4-hydroxy-4-methylpiperidin-3-yl)oxybenzonitrile
CID 114249895
3-(3,3-dimethylazetidin-1-yl)-4-methylpiperidin-4-ol
CID 130746790
4-methyl-3-propan-2-ylsulfonylpiperidin-4-ol
CID 130526877
4-methyl-3-(2-methylpropoxy)piperidin-4-ol
CID 130495455
4,6-dimethyl-1,3-diazocane-5,6-diol
CID 175526698
2-(4-hydroxy-3-methylpiperidin-4-yl)pentanenitrile
CID 114502219
3,4-dimethylazepan-4-ol;hydrochloride
CID 118798621

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-hydroxy-4-methylpiperidine-3-carbonitrile?
The IUPAC name of (3S,4R)-4-hydroxy-4-methylpiperidine-3-carbonitrile (CID 130972078) is (3S,4R)-4-hydroxy-4-methylpiperidine-3-carbonitrile.
What is the SMILES notation for (3S,4R)-4-hydroxy-4-methylpiperidine-3-carbonitrile?
The canonical SMILES for (3S,4R)-4-hydroxy-4-methylpiperidine-3-carbonitrile is C[C@@]1(O)CCNC[C@H]1C#N.
What is the InChIKey of (3S,4R)-4-hydroxy-4-methylpiperidine-3-carbonitrile?
The InChIKey is FGHJUQOEHVZZQY-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H12N2O/c1-7(10)2-3-9-5-6(7)4-8/h6,9-10H,2-3,5H2,1H3/t6-,7-/m1/s1.
What are the key properties of (3S,4R)-4-hydroxy-4-methylpiperidine-3-carbonitrile?
(3S,4R)-4-hydroxy-4-methylpiperidine-3-carbonitrile has a molecular weight of 140.19 g/mol, XLogP of -0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-hydroxy-4-methylpiperidine-3-carbonitrile is sourced from PubChem (CID 130972078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).