2-(1-ethylpiperidin-4-yl)benzonitrile

C14H18N2 — CID 71091815

IUPAC2-(1-ethylpiperidin-4-yl)benzonitrile
SMILESCCN1CCC(c2ccccc2C#N)CC1
InChIInChI=1S/C14H18N2/c1-2-16-9-7-12(8-10-16)14-6-4-3-5-13(14)11-15/h3-6,12H,2,7-10H2,1H3
InChIKeyGUUIEEWHRQHAJE-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.76
Rot. Bonds2

About 2-(1-ethylpiperidin-4-yl)benzonitrile

2-(1-ethylpiperidin-4-yl)benzonitrile (PubChem CID 71091815) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)benzonitrile.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)benzonitrile
PubChem CID71091815
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-(1-ethylpiperidin-4-yl)benzonitrile
SMILESCCN1CCC(c2ccccc2C#N)CC1
InChIInChI=1S/C14H18N2/c1-2-16-9-7-12(8-10-16)14-6-4-3-5-13(14)11-15/h3-6,12H,2,7-10H2,1H3
InChIKeyGUUIEEWHRQHAJE-UHFFFAOYSA-N
XLogP2.76
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)benzonitrile?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)benzonitrile (CID 71091815) is 2-(1-ethylpiperidin-4-yl)benzonitrile.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)benzonitrile?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)benzonitrile is CCN1CCC(c2ccccc2C#N)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)benzonitrile?
The InChIKey is GUUIEEWHRQHAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-16-9-7-12(8-10-16)14-6-4-3-5-13(14)11-15/h3-6,12H,2,7-10H2,1H3.
What are the key properties of 2-(1-ethylpiperidin-4-yl)benzonitrile?
2-(1-ethylpiperidin-4-yl)benzonitrile has a molecular weight of 214.31 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)benzonitrile is sourced from PubChem (CID 71091815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).