4-(3-chlorophenyl)-4-(difluoromethyl)piperidine

C12H14ClF2N — CID 84737368

IUPAC4-(3-chlorophenyl)-4-(difluoromethyl)piperidine
SMILESFC(F)C1(c2cccc(Cl)c2)CCNCC1
InChIInChI=1S/C12H14ClF2N/c13-10-3-1-2-9(8-10)12(11(14)15)4-6-16-7-5-12/h1-3,8,11,16H,4-7H2
InChIKeyVSJGJDNTRDLPBI-UHFFFAOYSA-N
MW245.70 g/mol
LogP3.23
Rot. Bonds2

About 4-(3-chlorophenyl)-4-(difluoromethyl)piperidine

4-(3-chlorophenyl)-4-(difluoromethyl)piperidine (PubChem CID 84737368) has the molecular formula C12H14ClF2N and a molecular weight of 245.70 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-4-(difluoromethyl)piperidine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-4-(difluoromethyl)piperidine
PubChem CID84737368
Molecular FormulaC12H14ClF2N
Molecular Weight245.70 g/mol
Exact Mass245.08
IUPAC Name4-(3-chlorophenyl)-4-(difluoromethyl)piperidine
SMILESFC(F)C1(c2cccc(Cl)c2)CCNCC1
InChIInChI=1S/C12H14ClF2N/c13-10-3-1-2-9(8-10)12(11(14)15)4-6-16-7-5-12/h1-3,8,11,16H,4-7H2
InChIKeyVSJGJDNTRDLPBI-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

1-chloro-3-[1-(difluoromethyl)cyclopropyl]benzene
CID 84721508
3-(3-chlorophenyl)-3-propan-2-ylpyrrolidine
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4-(2-chlorophenyl)-4-(difluoromethyl)piperidine
CID 84737369
1-[1-(difluoromethyl)cyclohexyl]-3-fluorobenzene
CID 84726019
3-[1-(3-chlorophenyl)cyclopropyl]pyrrolidine
CID 83910690
1-chloro-3-(1-methylcyclopropyl)benzene;ethane
CID 171088326
1-chloro-4-[1-(difluoromethyl)cyclohexyl]benzene
CID 84728475
1-(3-chlorophenyl)-3,3-difluorocyclopentan-1-amine
CID 115038563
1-(3-chlorophenyl)-3,3-difluorocyclobutan-1-amine
CID 105471866
5-(3-chlorophenyl)spiro[2.3]hexan-5-amine
CID 65008597
2-[3-(3-chlorophenyl)azepan-3-yl]ethanol
CID 19418633
1-(3-chlorophenyl)-2-(4-phenylpiperidin-4-yl)oxyethane-1,2-diol
CID 170255817

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-4-(difluoromethyl)piperidine?
The IUPAC name of 4-(3-chlorophenyl)-4-(difluoromethyl)piperidine (CID 84737368) is 4-(3-chlorophenyl)-4-(difluoromethyl)piperidine.
What is the SMILES notation for 4-(3-chlorophenyl)-4-(difluoromethyl)piperidine?
The canonical SMILES for 4-(3-chlorophenyl)-4-(difluoromethyl)piperidine is FC(F)C1(c2cccc(Cl)c2)CCNCC1.
What is the InChIKey of 4-(3-chlorophenyl)-4-(difluoromethyl)piperidine?
The InChIKey is VSJGJDNTRDLPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N/c13-10-3-1-2-9(8-10)12(11(14)15)4-6-16-7-5-12/h1-3,8,11,16H,4-7H2.
What are the key properties of 4-(3-chlorophenyl)-4-(difluoromethyl)piperidine?
4-(3-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-(3-chlorophenyl)-4-(difluoromethyl)piperidine is sourced from PubChem (CID 84737368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).