2-fluoro-6-(piperidin-1-ylmethyl)benzonitrile

C13H15FN2 — CID 134602564

IUPAC2-fluoro-6-(piperidin-1-ylmethyl)benzonitrile
SMILESN#Cc1c(F)cccc1CN1CCCCC1
InChIInChI=1S/C13H15FN2/c14-13-6-4-5-11(12(13)9-15)10-16-7-2-1-3-8-16/h4-6H,1-3,7-8,10H2
InChIKeyBOLPHVTUJMQTMS-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.68
Rot. Bonds2

About 2-fluoro-6-(piperidin-1-ylmethyl)benzonitrile

2-fluoro-6-(piperidin-1-ylmethyl)benzonitrile (PubChem CID 134602564) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-fluoro-6-(piperidin-1-ylmethyl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(piperidin-1-ylmethyl)benzonitrile
PubChem CID134602564
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name2-fluoro-6-(piperidin-1-ylmethyl)benzonitrile
SMILESN#Cc1c(F)cccc1CN1CCCCC1
InChIInChI=1S/C13H15FN2/c14-13-6-4-5-11(12(13)9-15)10-16-7-2-1-3-8-16/h4-6H,1-3,7-8,10H2
InChIKeyBOLPHVTUJMQTMS-UHFFFAOYSA-N
XLogP2.68
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-6-(piperidin-1-ylmethyl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 15362
2-Phenyl-2-piperidinoacetonitrile
CID 21989
1-[(4-Fluorophenyl)methyl]-4-methylpiperazine
CID 765182
3-((S)-1-Allyl-piperidin-3-yl)-benzonitrile
CID 10242819
3,4-Dihydro-2(1H)-isoquinolineacetonitrile
CID 56222
alpha-Phenyl-1-(phenylmethyl)-4-piperidineacetonitrile
CID 98062
2-((Dimethylamino)methyl)benzonitrile
CID 4962636
2-Butyl-1,2,3,4-tetrahydroisoquinoline-7-carbonitrile
CID 21085427
4-Methyl-1-(2-methyl-benzyl)-piperidine
CID 22197665
2-(4-Benzylpiperazin-1-yl)acetonitrile
CID 3855721
N,1-dimethyl-N-(2-methylbenzyl)-4-piperidinamine
CID 764605
1-Methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 763606

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(piperidin-1-ylmethyl)benzonitrile?
The IUPAC name of 2-fluoro-6-(piperidin-1-ylmethyl)benzonitrile (CID 134602564) is 2-fluoro-6-(piperidin-1-ylmethyl)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(piperidin-1-ylmethyl)benzonitrile?
The canonical SMILES for 2-fluoro-6-(piperidin-1-ylmethyl)benzonitrile is N#Cc1c(F)cccc1CN1CCCCC1.
What is the InChIKey of 2-fluoro-6-(piperidin-1-ylmethyl)benzonitrile?
The InChIKey is BOLPHVTUJMQTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c14-13-6-4-5-11(12(13)9-15)10-16-7-2-1-3-8-16/h4-6H,1-3,7-8,10H2.
What are the key properties of 2-fluoro-6-(piperidin-1-ylmethyl)benzonitrile?
2-fluoro-6-(piperidin-1-ylmethyl)benzonitrile has a molecular weight of 218.28 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(piperidin-1-ylmethyl)benzonitrile is sourced from PubChem (CID 134602564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).