(2S)-2-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)acetonitrile

C20H21FN2 — CID 129394599

IUPAC(2S)-2-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)acetonitrile
SMILESN#C[C@H](c1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H21FN2/c21-19-8-6-17(7-9-19)20(14-22)18-10-12-23(13-11-18)15-16-4-2-1-3-5-16/h1-9,18,20H,10-13,15H2/t20-/m1/s1
InChIKeyUOESZSXJZJFJGW-HXUWFJFHSA-N
MW308.40 g/mol
LogP4.35
Rot. Bonds4

About (2S)-2-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)acetonitrile

(2S)-2-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)acetonitrile (PubChem CID 129394599) has the molecular formula C20H21FN2 and a molecular weight of 308.40 g/mol. Its IUPAC name is (2S)-2-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)acetonitrile.

Molecular Properties

Compound Name(2S)-2-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)acetonitrile
PubChem CID129394599
Molecular FormulaC20H21FN2
Molecular Weight308.40 g/mol
Exact Mass308.17
IUPAC Name(2S)-2-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)acetonitrile
SMILESN#C[C@H](c1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H21FN2/c21-19-8-6-17(7-9-19)20(14-22)18-10-12-23(13-11-18)15-16-4-2-1-3-5-16/h1-9,18,20H,10-13,15H2/t20-/m1/s1
InChIKeyUOESZSXJZJFJGW-HXUWFJFHSA-N
XLogP4.35
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-benzylpiperidin-4-yl)-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 19772041
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 6938115
1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine
CID 10025195
3-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)-3-hydroxyprop-2-enenitrile
CID 67878154
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692
N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 754317
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263
2-(1-benzylpiperidin-4-yl)-2-fluoroacetic acid
CID 81357739
(4-amino-3-fluorophenyl)-(1-benzylpiperidin-4-yl)methanol
CID 123901563
4-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzonitrile
CID 33349056
(2S)-2-cyclohexyl-2-phenylacetonitrile
CID 6992167
2-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]-2-phenylacetonitrile
CID 67761395

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)acetonitrile?
The IUPAC name of (2S)-2-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)acetonitrile (CID 129394599) is (2S)-2-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)acetonitrile.
What is the SMILES notation for (2S)-2-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)acetonitrile?
The canonical SMILES for (2S)-2-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)acetonitrile is N#C[C@H](c1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2S)-2-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)acetonitrile?
The InChIKey is UOESZSXJZJFJGW-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21FN2/c21-19-8-6-17(7-9-19)20(14-22)18-10-12-23(13-11-18)15-16-4-2-1-3-5-16/h1-9,18,20H,10-13,15H2/t20-/m1/s1.
What are the key properties of (2S)-2-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)acetonitrile?
(2S)-2-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)acetonitrile has a molecular weight of 308.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)acetonitrile is sourced from PubChem (CID 129394599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).