4-(2-chlorophenyl)-4-(difluoromethyl)piperidine

C12H14ClF2N — CID 84737369

IUPAC4-(2-chlorophenyl)-4-(difluoromethyl)piperidine
SMILESFC(F)C1(c2ccccc2Cl)CCNCC1
InChIInChI=1S/C12H14ClF2N/c13-10-4-2-1-3-9(10)12(11(14)15)5-7-16-8-6-12/h1-4,11,16H,5-8H2
InChIKeyQJNLCMVZBJVOPG-UHFFFAOYSA-N
MW245.70 g/mol
LogP3.23
Rot. Bonds2

About 4-(2-chlorophenyl)-4-(difluoromethyl)piperidine

4-(2-chlorophenyl)-4-(difluoromethyl)piperidine (PubChem CID 84737369) has the molecular formula C12H14ClF2N and a molecular weight of 245.70 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-4-(difluoromethyl)piperidine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-4-(difluoromethyl)piperidine
PubChem CID84737369
Molecular FormulaC12H14ClF2N
Molecular Weight245.70 g/mol
Exact Mass245.08
IUPAC Name4-(2-chlorophenyl)-4-(difluoromethyl)piperidine
SMILESFC(F)C1(c2ccccc2Cl)CCNCC1
InChIInChI=1S/C12H14ClF2N/c13-10-4-2-1-3-9(10)12(11(14)15)5-7-16-8-6-12/h1-4,11,16H,5-8H2
InChIKeyQJNLCMVZBJVOPG-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.70
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-chlorophenyl)-4-propan-2-ylpiperidine
CID 83897892
1-chloro-2-[1-(1-fluoroethyl)cyclopropyl]benzene
CID 84721034
4-(3-chlorophenyl)-4-(difluoromethyl)piperidine
CID 84737368
2-[1-(difluoromethyl)cyclopropyl]aniline
CID 84718752
[2-(2-chlorophenyl)azetidin-2-yl]methanamine
CID 115059255
2-[1-(difluoromethyl)cyclobutyl]aniline
CID 84720879
1-[1-(difluoromethyl)cyclopentyl]-2-methylbenzene
CID 84723182
2-[1-(difluoromethyl)cyclopentyl]aniline
CID 84723299
2-(2-chlorophenyl)-4,4-difluoro-2-methylpiperidine
CID 115045643
4-(2-amino-3-chlorophenyl)piperidin-4-ol
CID 117103771
1-chloro-2-[1-(2-chlorophenyl)cyclopentyl]benzene
CID 142095779
4-(3-chloro-2-fluorophenyl)piperidine-4-carboxylic acid
CID 82803603

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-4-(difluoromethyl)piperidine?
The IUPAC name of 4-(2-chlorophenyl)-4-(difluoromethyl)piperidine (CID 84737369) is 4-(2-chlorophenyl)-4-(difluoromethyl)piperidine.
What is the SMILES notation for 4-(2-chlorophenyl)-4-(difluoromethyl)piperidine?
The canonical SMILES for 4-(2-chlorophenyl)-4-(difluoromethyl)piperidine is FC(F)C1(c2ccccc2Cl)CCNCC1.
What is the InChIKey of 4-(2-chlorophenyl)-4-(difluoromethyl)piperidine?
The InChIKey is QJNLCMVZBJVOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N/c13-10-4-2-1-3-9(10)12(11(14)15)5-7-16-8-6-12/h1-4,11,16H,5-8H2.
What are the key properties of 4-(2-chlorophenyl)-4-(difluoromethyl)piperidine?
4-(2-chlorophenyl)-4-(difluoromethyl)piperidine has a molecular weight of 245.70 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-4-(difluoromethyl)piperidine is sourced from PubChem (CID 84737369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).