2-(2,6-difluorophenyl)piperidine-4-carbonitrile;hydrochloride

C12H13ClF2N2 — CID 168866004

IUPAC2-(2,6-difluorophenyl)piperidine-4-carbonitrile;hydrochloride
SMILESCl.N#CC1CCNC(c2c(F)cccc2F)C1
InChIInChI=1S/C12H12F2N2.ClH/c13-9-2-1-3-10(14)12(9)11-6-8(7-15)4-5-16-11;/h1-3,8,11,16H,4-6H2;1H
InChIKeyCLMRLBRPGAFAMD-UHFFFAOYSA-N
MW258.70 g/mol
LogP2.95
Rot. Bonds1

About 2-(2,6-difluorophenyl)piperidine-4-carbonitrile;hydrochloride

2-(2,6-difluorophenyl)piperidine-4-carbonitrile;hydrochloride (PubChem CID 168866004) has the molecular formula C12H13ClF2N2 and a molecular weight of 258.70 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)piperidine-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)piperidine-4-carbonitrile;hydrochloride
PubChem CID168866004
Molecular FormulaC12H13ClF2N2
Molecular Weight258.70 g/mol
Exact Mass258.07
IUPAC Name2-(2,6-difluorophenyl)piperidine-4-carbonitrile;hydrochloride
SMILESCl.N#CC1CCNC(c2c(F)cccc2F)C1
InChIInChI=1S/C12H12F2N2.ClH/c13-9-2-1-3-10(14)12(9)11-6-8(7-15)4-5-16-11;/h1-3,8,11,16H,4-6H2;1H
InChIKeyCLMRLBRPGAFAMD-UHFFFAOYSA-N
XLogP2.95
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)piperidine-4-carbonitrile
CID 170903904
(2R)-2-(2-bromo-6-fluorophenyl)azetidine;hydrochloride
CID 171197230
(2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride
CID 171194835
2-(2-ethyl-6-fluorophenyl)pyrrolidine
CID 55295804
2-(2-fluoro-6-methoxyphenyl)azetidine
CID 55282434
2-(azetidin-2-yl)-3-fluorobenzoic acid
CID 55297953
5-(2,6-difluorophenyl)pyrrolidine-3-carboxylic acid
CID 117326291
2-(2,6-difluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine
CID 123206718
(2S,4R)-2-(2-fluorophenyl)piperidin-4-amine
CID 82657044
(2S)-2-(2-fluorophenyl)pyrrolidine;hydrochloride
CID 66518510
2-[(2S)-azetidin-2-yl]-6-fluorophenol
CID 55278704
(2R)-2-(2-fluoro-6-methylphenyl)piperazine
CID 131128781

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)piperidine-4-carbonitrile;hydrochloride?
The IUPAC name of 2-(2,6-difluorophenyl)piperidine-4-carbonitrile;hydrochloride (CID 168866004) is 2-(2,6-difluorophenyl)piperidine-4-carbonitrile;hydrochloride.
What is the SMILES notation for 2-(2,6-difluorophenyl)piperidine-4-carbonitrile;hydrochloride?
The canonical SMILES for 2-(2,6-difluorophenyl)piperidine-4-carbonitrile;hydrochloride is Cl.N#CC1CCNC(c2c(F)cccc2F)C1.
What is the InChIKey of 2-(2,6-difluorophenyl)piperidine-4-carbonitrile;hydrochloride?
The InChIKey is CLMRLBRPGAFAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2.ClH/c13-9-2-1-3-10(14)12(9)11-6-8(7-15)4-5-16-11;/h1-3,8,11,16H,4-6H2;1H.
What are the key properties of 2-(2,6-difluorophenyl)piperidine-4-carbonitrile;hydrochloride?
2-(2,6-difluorophenyl)piperidine-4-carbonitrile;hydrochloride has a molecular weight of 258.70 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)piperidine-4-carbonitrile;hydrochloride is sourced from PubChem (CID 168866004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).