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

C14H18N2 — CID 562499

IUPAC2-(1-benzylpiperidin-4-yl)acetonitrile
SMILESN#CCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H18N2/c15-9-6-13-7-10-16(11-8-13)12-14-4-2-1-3-5-14/h1-5,13H,6-8,10-12H2
InChIKeyZKOHFVJCKMHYSL-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.81
Rot. Bonds3

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

2-(1-benzylpiperidin-4-yl)acetonitrile (PubChem CID 562499) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)acetonitrile
PubChem CID562499
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-(1-benzylpiperidin-4-yl)acetonitrile
SMILESN#CCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H18N2/c15-9-6-13-7-10-16(11-8-13)12-14-4-2-1-3-5-14/h1-5,13H,6-8,10-12H2
InChIKeyZKOHFVJCKMHYSL-UHFFFAOYSA-N
XLogP2.81
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)acetonitrile?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)acetonitrile (CID 562499) is 2-(1-benzylpiperidin-4-yl)acetonitrile.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)acetonitrile?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)acetonitrile is N#CCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)acetonitrile?
The InChIKey is ZKOHFVJCKMHYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c15-9-6-13-7-10-16(11-8-13)12-14-4-2-1-3-5-14/h1-5,13H,6-8,10-12H2.
What are the key properties of 2-(1-benzylpiperidin-4-yl)acetonitrile?
2-(1-benzylpiperidin-4-yl)acetonitrile has a molecular weight of 214.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)acetonitrile is sourced from PubChem (CID 562499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).