2,2-diphenyl-2-piperidin-4-ylacetonitrile

C19H20N2 — CID 21271128

IUPAC2,2-diphenyl-2-piperidin-4-ylacetonitrile
SMILESN#CC(c1ccccc1)(c1ccccc1)C1CCNCC1
InChIInChI=1S/C19H20N2/c20-15-19(16-7-3-1-4-8-16,17-9-5-2-6-10-17)18-11-13-21-14-12-18/h1-10,18,21H,11-14H2
InChIKeyBOKXNMANUZOOSE-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.50
Rot. Bonds3

About 2,2-diphenyl-2-piperidin-4-ylacetonitrile

2,2-diphenyl-2-piperidin-4-ylacetonitrile (PubChem CID 21271128) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2,2-diphenyl-2-piperidin-4-ylacetonitrile.

Molecular Properties

Compound Name2,2-diphenyl-2-piperidin-4-ylacetonitrile
PubChem CID21271128
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name2,2-diphenyl-2-piperidin-4-ylacetonitrile
SMILESN#CC(c1ccccc1)(c1ccccc1)C1CCNCC1
InChIInChI=1S/C19H20N2/c20-15-19(16-7-3-1-4-8-16,17-9-5-2-6-10-17)18-11-13-21-14-12-18/h1-10,18,21H,11-14H2
InChIKeyBOKXNMANUZOOSE-UHFFFAOYSA-N
XLogP3.50
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-2-piperidin-4-ylacetonitrile?
The IUPAC name of 2,2-diphenyl-2-piperidin-4-ylacetonitrile (CID 21271128) is 2,2-diphenyl-2-piperidin-4-ylacetonitrile.
What is the SMILES notation for 2,2-diphenyl-2-piperidin-4-ylacetonitrile?
The canonical SMILES for 2,2-diphenyl-2-piperidin-4-ylacetonitrile is N#CC(c1ccccc1)(c1ccccc1)C1CCNCC1.
What is the InChIKey of 2,2-diphenyl-2-piperidin-4-ylacetonitrile?
The InChIKey is BOKXNMANUZOOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c20-15-19(16-7-3-1-4-8-16,17-9-5-2-6-10-17)18-11-13-21-14-12-18/h1-10,18,21H,11-14H2.
What are the key properties of 2,2-diphenyl-2-piperidin-4-ylacetonitrile?
2,2-diphenyl-2-piperidin-4-ylacetonitrile has a molecular weight of 276.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-2-piperidin-4-ylacetonitrile is sourced from PubChem (CID 21271128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).