1-benzyl-4-(4-fluorophenyl)piperidine-4-carbonitrile

C19H19FN2 — CID 54497189

IUPAC1-benzyl-4-(4-fluorophenyl)piperidine-4-carbonitrile
SMILESN#CC1(c2ccc(F)cc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H19FN2/c20-18-8-6-17(7-9-18)19(15-21)10-12-22(13-11-19)14-16-4-2-1-3-5-16/h1-9H,10-14H2
InChIKeyXZXRYIVIXLDOKG-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.88
Rot. Bonds3

About 1-benzyl-4-(4-fluorophenyl)piperidine-4-carbonitrile

1-benzyl-4-(4-fluorophenyl)piperidine-4-carbonitrile (PubChem CID 54497189) has the molecular formula C19H19FN2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-benzyl-4-(4-fluorophenyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-benzyl-4-(4-fluorophenyl)piperidine-4-carbonitrile
PubChem CID54497189
Molecular FormulaC19H19FN2
Molecular Weight294.37 g/mol
Exact Mass294.15
IUPAC Name1-benzyl-4-(4-fluorophenyl)piperidine-4-carbonitrile
SMILESN#CC1(c2ccc(F)cc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H19FN2/c20-18-8-6-17(7-9-18)19(15-21)10-12-22(13-11-19)14-16-4-2-1-3-5-16/h1-9H,10-14H2
InChIKeyXZXRYIVIXLDOKG-UHFFFAOYSA-N
XLogP3.88
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 6468
CID 6468
CID 62513
CID 62513
CID 72027
CID 72027
CID 71225
CID 71225
CID 191408
CID 191408
CID 224577
CID 224577
CID 44398114
CID 44398114
CID 65638
CID 65638
CID 24060
CID 24060
CID 21989
CID 21989
CID 206666
CID 206666
CID 2845719
CID 2845719

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-fluorophenyl)piperidine-4-carbonitrile?
The IUPAC name of 1-benzyl-4-(4-fluorophenyl)piperidine-4-carbonitrile (CID 54497189) is 1-benzyl-4-(4-fluorophenyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-benzyl-4-(4-fluorophenyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-benzyl-4-(4-fluorophenyl)piperidine-4-carbonitrile is N#CC1(c2ccc(F)cc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(4-fluorophenyl)piperidine-4-carbonitrile?
The InChIKey is XZXRYIVIXLDOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2/c20-18-8-6-17(7-9-18)19(15-21)10-12-22(13-11-19)14-16-4-2-1-3-5-16/h1-9H,10-14H2.
What are the key properties of 1-benzyl-4-(4-fluorophenyl)piperidine-4-carbonitrile?
1-benzyl-4-(4-fluorophenyl)piperidine-4-carbonitrile has a molecular weight of 294.37 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-fluorophenyl)piperidine-4-carbonitrile is sourced from PubChem (CID 54497189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).