2-(1-benzylpiperidin-4-yl)-2-phenylacetonitrile;hydrochloride

C20H23ClN2 — CID 15945684

IUPAC2-(1-benzylpiperidin-4-yl)-2-phenylacetonitrile;hydrochloride
SMILESCl.N#CC(c1ccccc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H22N2.ClH/c21-15-20(18-9-5-2-6-10-18)19-11-13-22(14-12-19)16-17-7-3-1-4-8-17;/h1-10,19-20H,11-14,16H2;1H
InChIKeyBKNXHRQKVASQLP-UHFFFAOYSA-N
MW326.87 g/mol
LogP4.63
Rot. Bonds4

About 2-(1-benzylpiperidin-4-yl)-2-phenylacetonitrile;hydrochloride

2-(1-benzylpiperidin-4-yl)-2-phenylacetonitrile;hydrochloride (PubChem CID 15945684) has the molecular formula C20H23ClN2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-2-phenylacetonitrile;hydrochloride.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-2-phenylacetonitrile;hydrochloride
PubChem CID15945684
Molecular FormulaC20H23ClN2
Molecular Weight326.87 g/mol
Exact Mass326.15
IUPAC Name2-(1-benzylpiperidin-4-yl)-2-phenylacetonitrile;hydrochloride
SMILESCl.N#CC(c1ccccc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H22N2.ClH/c21-15-20(18-9-5-2-6-10-18)19-11-13-22(14-12-19)16-17-7-3-1-4-8-17;/h1-10,19-20H,11-14,16H2;1H
InChIKeyBKNXHRQKVASQLP-UHFFFAOYSA-N
XLogP4.63
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 54.63
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)-2-phenylacetonitrile;hydrochloride?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-2-phenylacetonitrile;hydrochloride (CID 15945684) is 2-(1-benzylpiperidin-4-yl)-2-phenylacetonitrile;hydrochloride.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-2-phenylacetonitrile;hydrochloride?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-2-phenylacetonitrile;hydrochloride is Cl.N#CC(c1ccccc1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-2-phenylacetonitrile;hydrochloride?
The InChIKey is BKNXHRQKVASQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2.ClH/c21-15-20(18-9-5-2-6-10-18)19-11-13-22(14-12-19)16-17-7-3-1-4-8-17;/h1-10,19-20H,11-14,16H2;1H.
What are the key properties of 2-(1-benzylpiperidin-4-yl)-2-phenylacetonitrile;hydrochloride?
2-(1-benzylpiperidin-4-yl)-2-phenylacetonitrile;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 4.63, 4 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)-2-phenylacetonitrile;hydrochloride is sourced from PubChem (CID 15945684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).