4-(1-benzylpiperidin-4-yl)benzonitrile

C19H20N2 — CID 70029902

IUPAC4-(1-benzylpiperidin-4-yl)benzonitrile
SMILESN#Cc1ccc(C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H20N2/c20-14-16-6-8-18(9-7-16)19-10-12-21(13-11-19)15-17-4-2-1-3-5-17/h1-9,19H,10-13,15H2
InChIKeyFRZDNHLVNYQWBB-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.94
Rot. Bonds3

About 4-(1-benzylpiperidin-4-yl)benzonitrile

4-(1-benzylpiperidin-4-yl)benzonitrile (PubChem CID 70029902) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(1-benzylpiperidin-4-yl)benzonitrile.

Molecular Properties

Compound Name4-(1-benzylpiperidin-4-yl)benzonitrile
PubChem CID70029902
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name4-(1-benzylpiperidin-4-yl)benzonitrile
SMILESN#Cc1ccc(C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H20N2/c20-14-16-6-8-18(9-7-16)19-10-12-21(13-11-19)15-17-4-2-1-3-5-17/h1-9,19H,10-13,15H2
InChIKeyFRZDNHLVNYQWBB-UHFFFAOYSA-N
XLogP3.94
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-benzylpiperidin-4-yl)benzoic acid
CID 125492559
4-[[4-(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]benzonitrile
CID 56861118
4-(1,4-dibenzylpiperazin-2-yl)benzonitrile
CID 77150858
4-(1-benzylpyrrolidin-2-yl)benzonitrile
CID 164673724
4-(1-benzylpyrrolidin-3-yl)oxybenzonitrile
CID 62917204
4-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzonitrile
CID 33349056
4-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]benzonitrile
CID 17409570
4-[[(4aS,9aS)-3-oxo-4-phenyl-4a,5,6,8,9,9a-hexahydro-[1,4]oxazino[2,3-d]azepin-7-yl]methyl]benzonitrile
CID 134806491
4-[[3-(5-benzyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 75615380
1-[(4-cyanophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride
CID 71432530
2-(1-benzylpiperidin-4-yl)-1,3-dihydroisoindole-5-carbonitrile
CID 94778714
4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 75615193

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpiperidin-4-yl)benzonitrile?
The IUPAC name of 4-(1-benzylpiperidin-4-yl)benzonitrile (CID 70029902) is 4-(1-benzylpiperidin-4-yl)benzonitrile.
What is the SMILES notation for 4-(1-benzylpiperidin-4-yl)benzonitrile?
The canonical SMILES for 4-(1-benzylpiperidin-4-yl)benzonitrile is N#Cc1ccc(C2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-(1-benzylpiperidin-4-yl)benzonitrile?
The InChIKey is FRZDNHLVNYQWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c20-14-16-6-8-18(9-7-16)19-10-12-21(13-11-19)15-17-4-2-1-3-5-17/h1-9,19H,10-13,15H2.
What are the key properties of 4-(1-benzylpiperidin-4-yl)benzonitrile?
4-(1-benzylpiperidin-4-yl)benzonitrile has a molecular weight of 276.38 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpiperidin-4-yl)benzonitrile is sourced from PubChem (CID 70029902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).