2-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile

C19H18ClFN2 — CID 135144481

IUPAC2-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1CN1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H18ClFN2/c20-18-4-1-14(2-5-18)15-7-9-23(10-8-15)13-17-11-19(21)6-3-16(17)12-22/h1-6,11,15H,7-10,13H2
InChIKeyAIZHVBROHGDQHA-UHFFFAOYSA-N
MW328.82 g/mol
LogP4.73
Rot. Bonds3

About 2-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile

2-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile (PubChem CID 135144481) has the molecular formula C19H18ClFN2 and a molecular weight of 328.82 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile
PubChem CID135144481
Molecular FormulaC19H18ClFN2
Molecular Weight328.82 g/mol
Exact Mass328.11
IUPAC Name2-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1CN1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H18ClFN2/c20-18-4-1-14(2-5-18)15-7-9-23(10-8-15)13-17-11-19(21)6-3-16(17)12-22/h1-6,11,15H,7-10,13H2
InChIKeyAIZHVBROHGDQHA-UHFFFAOYSA-N
XLogP4.73
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-cyclopropylpiperazin-1-yl)methyl]-4-fluorobenzonitrile
CID 103760705
2-[(4-tert-butylazepan-1-yl)methyl]-4-fluorobenzonitrile
CID 107902863
4-fluoro-2-[[4-(propylaminomethyl)piperidin-1-yl]methyl]benzonitrile
CID 107909140
2-[1-[(2-cyano-5-fluorophenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 64763359
1-[(2-cyano-5-fluorophenyl)methyl]-4-methylpiperidine-4-carbonitrile
CID 103994118
4-fluoro-2-[(4-hydroxyiminopiperidin-1-yl)methyl]benzonitrile
CID 107906014
4-fluoro-2-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzonitrile
CID 80702243
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-4-fluorobenzonitrile
CID 107902824
4-fluoro-2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]benzonitrile
CID 64765966
2-[(4-cyclopentylanilino)methyl]-4-fluorobenzonitrile
CID 135144381
4-(4-chlorophenyl)-1-[4-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]but-3-ynyl]piperidine
CID 23090944
2-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-4-fluorobenzonitrile
CID 75426436

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile?
The IUPAC name of 2-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile (CID 135144481) is 2-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile?
The canonical SMILES for 2-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile is N#Cc1ccc(F)cc1CN1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile?
The InChIKey is AIZHVBROHGDQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2/c20-18-4-1-14(2-5-18)15-7-9-23(10-8-15)13-17-11-19(21)6-3-16(17)12-22/h1-6,11,15H,7-10,13H2.
What are the key properties of 2-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile?
2-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile has a molecular weight of 328.82 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile is sourced from PubChem (CID 135144481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).