5-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanenitrile

C13H24N2O — CID 103897919

IUPAC5-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanenitrile
SMILESCC1CCN(CCCC(C)(C)C#N)CC1O
InChIInChI=1S/C13H24N2O/c1-11-5-8-15(9-12(11)16)7-4-6-13(2,3)10-14/h11-12,16H,4-9H2,1-3H3
InChIKeyLDQHGMZNNLHWDT-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.02
Rot. Bonds4

About 5-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanenitrile

5-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanenitrile (PubChem CID 103897919) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 5-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanenitrile
PubChem CID103897919
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name5-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanenitrile
SMILESCC1CCN(CCCC(C)(C)C#N)CC1O
InChIInChI=1S/C13H24N2O/c1-11-5-8-15(9-12(11)16)7-4-6-13(2,3)10-14/h11-12,16H,4-9H2,1-3H3
InChIKeyLDQHGMZNNLHWDT-UHFFFAOYSA-N
XLogP2.02
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpentanenitrile
CID 115302336
2,2-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pentanenitrile
CID 115300536
1-(4-cyano-4-methylpentyl)pyrrolidine-3-carboxylic acid
CID 65255418
(3R,4S)-4-methyl-1-(4-methyl-4-propoxypentyl)piperidin-3-ol
CID 142979977
1-(3-bromopropyl)-4-methylpiperidin-3-ol
CID 102964330
4-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylbutanenitrile
CID 107225980
5-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpentanenitrile
CID 65257902
5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanenitrile
CID 65257423
2-[1-(4-cyano-4-methylpentyl)piperidin-3-yl]acetic acid
CID 65256104
methyl 1-(4-cyano-4-methylpentyl)piperidine-3-carboxylate
CID 79421855
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile
CID 65257368
2,2-dimethyl-5-[3-(propylaminomethyl)piperidin-1-yl]pentanenitrile
CID 65254674

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanenitrile?
The IUPAC name of 5-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanenitrile (CID 103897919) is 5-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanenitrile is CC1CCN(CCCC(C)(C)C#N)CC1O.
What is the InChIKey of 5-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanenitrile?
The InChIKey is LDQHGMZNNLHWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11-5-8-15(9-12(11)16)7-4-6-13(2,3)10-14/h11-12,16H,4-9H2,1-3H3.
What are the key properties of 5-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanenitrile?
5-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanenitrile has a molecular weight of 224.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanenitrile is sourced from PubChem (CID 103897919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).