4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine

C12H14ClF2N — CID 63389167

IUPAC4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine
SMILESFc1ccc(CN2CCC(Cl)CC2)c(F)c1
InChIInChI=1S/C12H14ClF2N/c13-10-3-5-16(6-4-10)8-9-1-2-11(14)7-12(9)15/h1-2,7,10H,3-6,8H2
InChIKeyMDJGMBOWUXUGCO-UHFFFAOYSA-N
MW245.70 g/mol
LogP3.17
Rot. Bonds2

About 4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine

4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine (PubChem CID 63389167) has the molecular formula C12H14ClF2N and a molecular weight of 245.70 g/mol. Its IUPAC name is 4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine
PubChem CID63389167
Molecular FormulaC12H14ClF2N
Molecular Weight245.70 g/mol
Exact Mass245.08
IUPAC Name4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine
SMILESFc1ccc(CN2CCC(Cl)CC2)c(F)c1
InChIInChI=1S/C12H14ClF2N/c13-10-3-5-16(6-4-10)8-9-1-2-11(14)7-12(9)15/h1-2,7,10H,3-6,8H2
InChIKeyMDJGMBOWUXUGCO-UHFFFAOYSA-N
XLogP3.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.70
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-[(4-fluoro-2-methylphenyl)methyl]piperidine
CID 114349079
4-chloro-1-[(2-fluorophenyl)methyl]piperidine
CID 63389364
(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine
CID 24904864
1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine
CID 763846
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanamine
CID 55218660
1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride
CID 90039977
1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 4555188
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanol
CID 2057631
1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-2-one
CID 74241962
[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 165432887
1-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62512142
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 46052093

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine?
The IUPAC name of 4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine (CID 63389167) is 4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine.
What is the SMILES notation for 4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine?
The canonical SMILES for 4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine is Fc1ccc(CN2CCC(Cl)CC2)c(F)c1.
What is the InChIKey of 4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine?
The InChIKey is MDJGMBOWUXUGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N/c13-10-3-5-16(6-4-10)8-9-1-2-11(14)7-12(9)15/h1-2,7,10H,3-6,8H2.
What are the key properties of 4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine?
4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine has a molecular weight of 245.70 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine is sourced from PubChem (CID 63389167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).