2-[4-(4-ethylphenyl)piperidin-1-yl]acetonitrile

C15H20N2 — CID 82128350

IUPAC2-[4-(4-ethylphenyl)piperidin-1-yl]acetonitrile
SMILESCCc1ccc(C2CCN(CC#N)CC2)cc1
InChIInChI=1S/C15H20N2/c1-2-13-3-5-14(6-4-13)15-7-10-17(11-8-15)12-9-16/h3-6,15H,2,7-8,10-12H2,1H3
InChIKeyCNVXPXRFHGYWPH-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.95
Rot. Bonds3

About 2-[4-(4-ethylphenyl)piperidin-1-yl]acetonitrile

2-[4-(4-ethylphenyl)piperidin-1-yl]acetonitrile (PubChem CID 82128350) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[4-(4-ethylphenyl)piperidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(4-ethylphenyl)piperidin-1-yl]acetonitrile
PubChem CID82128350
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-[4-(4-ethylphenyl)piperidin-1-yl]acetonitrile
SMILESCCc1ccc(C2CCN(CC#N)CC2)cc1
InChIInChI=1S/C15H20N2/c1-2-13-3-5-14(6-4-13)15-7-10-17(11-8-15)12-9-16/h3-6,15H,2,7-8,10-12H2,1H3
InChIKeyCNVXPXRFHGYWPH-UHFFFAOYSA-N
XLogP2.95
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylphenyl)piperidin-1-yl]acetonitrile?
The IUPAC name of 2-[4-(4-ethylphenyl)piperidin-1-yl]acetonitrile (CID 82128350) is 2-[4-(4-ethylphenyl)piperidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(4-ethylphenyl)piperidin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(4-ethylphenyl)piperidin-1-yl]acetonitrile is CCc1ccc(C2CCN(CC#N)CC2)cc1.
What is the InChIKey of 2-[4-(4-ethylphenyl)piperidin-1-yl]acetonitrile?
The InChIKey is CNVXPXRFHGYWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-13-3-5-14(6-4-13)15-7-10-17(11-8-15)12-9-16/h3-6,15H,2,7-8,10-12H2,1H3.
What are the key properties of 2-[4-(4-ethylphenyl)piperidin-1-yl]acetonitrile?
2-[4-(4-ethylphenyl)piperidin-1-yl]acetonitrile has a molecular weight of 228.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylphenyl)piperidin-1-yl]acetonitrile is sourced from PubChem (CID 82128350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).