2-(1-cyclohexylpiperidin-4-yl)acetonitrile

C13H22N2 — CID 83916529

IUPAC2-(1-cyclohexylpiperidin-4-yl)acetonitrile
SMILESN#CCC1CCN(C2CCCCC2)CC1
InChIInChI=1S/C13H22N2/c14-9-6-12-7-10-15(11-8-12)13-4-2-1-3-5-13/h12-13H,1-8,10-11H2
InChIKeyPDEOGDBIHKABIS-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.94
Rot. Bonds2

About 2-(1-cyclohexylpiperidin-4-yl)acetonitrile

2-(1-cyclohexylpiperidin-4-yl)acetonitrile (PubChem CID 83916529) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-(1-cyclohexylpiperidin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-cyclohexylpiperidin-4-yl)acetonitrile
PubChem CID83916529
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-(1-cyclohexylpiperidin-4-yl)acetonitrile
SMILESN#CCC1CCN(C2CCCCC2)CC1
InChIInChI=1S/C13H22N2/c14-9-6-12-7-10-15(11-8-12)13-4-2-1-3-5-13/h12-13H,1-8,10-11H2
InChIKeyPDEOGDBIHKABIS-UHFFFAOYSA-N
XLogP2.94
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cycloundecylacetonitrile
CID 89159933
1-cyclooctyl-4-ethylpiperidine
CID 166912803
1-cyclohexylazocane
CID 23151203
1-cyclooctylpyrrolidine
CID 23277874
1-cyclooctylpiperidine
CID 89210756
butane;bis(1-cyclohexylpyrrolidine);dihydrate
CID 175247747
N-[(1-cycloheptylpiperidin-4-yl)methyl]propan-2-amine
CID 82925346
2-(1-ethylazepan-4-yl)acetonitrile
CID 83914417
2-(1-aminooxypiperidin-4-yl)acetonitrile
CID 166010695
(3S)-1-cyclohexylpyrrolidine-3-carbonitrile
CID 134459247
1-cyclohexylpiperidine;methane
CID 143122486
N-[(1-cyclohexylpiperidin-4-yl)methyl]-2-methylpropan-2-amine
CID 63849814

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpiperidin-4-yl)acetonitrile?
The IUPAC name of 2-(1-cyclohexylpiperidin-4-yl)acetonitrile (CID 83916529) is 2-(1-cyclohexylpiperidin-4-yl)acetonitrile.
What is the SMILES notation for 2-(1-cyclohexylpiperidin-4-yl)acetonitrile?
The canonical SMILES for 2-(1-cyclohexylpiperidin-4-yl)acetonitrile is N#CCC1CCN(C2CCCCC2)CC1.
What is the InChIKey of 2-(1-cyclohexylpiperidin-4-yl)acetonitrile?
The InChIKey is PDEOGDBIHKABIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c14-9-6-12-7-10-15(11-8-12)13-4-2-1-3-5-13/h12-13H,1-8,10-11H2.
What are the key properties of 2-(1-cyclohexylpiperidin-4-yl)acetonitrile?
2-(1-cyclohexylpiperidin-4-yl)acetonitrile has a molecular weight of 206.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpiperidin-4-yl)acetonitrile is sourced from PubChem (CID 83916529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).