1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile

C16H26N2O — CID 83056317

IUPAC1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile
SMILESCCCC1CCCCN1C(=O)C1(C#N)CCCCC1
InChIInChI=1S/C16H26N2O/c1-2-8-14-9-4-7-12-18(14)15(19)16(13-17)10-5-3-6-11-16/h14H,2-12H2,1H3
InChIKeyVVHYVSORUHSDBV-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.64
Rot. Bonds3

About 1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile

1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile (PubChem CID 83056317) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile
PubChem CID83056317
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile
SMILESCCCC1CCCCN1C(=O)C1(C#N)CCCCC1
InChIInChI=1S/C16H26N2O/c1-2-8-14-9-4-7-12-18(14)15(19)16(13-17)10-5-3-6-11-16/h14H,2-12H2,1H3
InChIKeyVVHYVSORUHSDBV-UHFFFAOYSA-N
XLogP3.64
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile
CID 80598710
1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile
CID 114011856
1-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile
CID 61459107
N'-hydroxy-1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 83046091
1-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile
CID 56779301
(3-ethylpiperidin-3-yl)-(2-propylpiperidin-1-yl)methanone
CID 83052876
1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile
CID 56779437
1-[2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile
CID 111472404
[2-[2-(methylamino)ethyl]piperidin-1-yl]-(1-methylcyclohexyl)methanone
CID 106828027
1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile
CID 51073773
2-bromo-1-(2-propylpiperidin-1-yl)ethanone
CID 83053246
1-(2,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carbonitrile
CID 62331229

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile (CID 83056317) is 1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile is CCCC1CCCCN1C(=O)C1(C#N)CCCCC1.
What is the InChIKey of 1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile?
The InChIKey is VVHYVSORUHSDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-8-14-9-4-7-12-18(14)15(19)16(13-17)10-5-3-6-11-16/h14H,2-12H2,1H3.
What are the key properties of 1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile?
1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile has a molecular weight of 262.40 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 83056317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).