3-chloro-1-[(2,5-difluorophenyl)methyl]piperidine

C12H14ClF2N — CID 63386784

IUPAC3-chloro-1-[(2,5-difluorophenyl)methyl]piperidine
SMILESFc1ccc(F)c(CN2CCCC(Cl)C2)c1
InChIInChI=1S/C12H14ClF2N/c13-10-2-1-5-16(8-10)7-9-6-11(14)3-4-12(9)15/h3-4,6,10H,1-2,5,7-8H2
InChIKeyUJOPJCRSYIUTND-UHFFFAOYSA-N
MW245.70 g/mol
LogP3.17
Rot. Bonds2

About 3-chloro-1-[(2,5-difluorophenyl)methyl]piperidine

3-chloro-1-[(2,5-difluorophenyl)methyl]piperidine (PubChem CID 63386784) has the molecular formula C12H14ClF2N and a molecular weight of 245.70 g/mol. Its IUPAC name is 3-chloro-1-[(2,5-difluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name3-chloro-1-[(2,5-difluorophenyl)methyl]piperidine
PubChem CID63386784
Molecular FormulaC12H14ClF2N
Molecular Weight245.70 g/mol
Exact Mass245.08
IUPAC Name3-chloro-1-[(2,5-difluorophenyl)methyl]piperidine
SMILESFc1ccc(F)c(CN2CCCC(Cl)C2)c1
InChIInChI=1S/C12H14ClF2N/c13-10-2-1-5-16(8-10)7-9-6-11(14)3-4-12(9)15/h3-4,6,10H,1-2,5,7-8H2
InChIKeyUJOPJCRSYIUTND-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

(3S)-1-[(2,5-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 24904996
1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119918436
2-[1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83200099
1-[(2,5-difluorophenyl)methyl]piperidin-4-ol
CID 24904993
3-cyclopropyl-1-[(2,5-difluorophenyl)methyl]piperazine
CID 64833211
(3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 120967115
methyl 1-[(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxylate
CID 112730829
3-chloro-1-[(4-ethylphenyl)methyl]piperidine
CID 63386785
1-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]ethanone
CID 63846321
2-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728723
cyclopentyl-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 23910095
1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 4555188

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[(2,5-difluorophenyl)methyl]piperidine?
The IUPAC name of 3-chloro-1-[(2,5-difluorophenyl)methyl]piperidine (CID 63386784) is 3-chloro-1-[(2,5-difluorophenyl)methyl]piperidine.
What is the SMILES notation for 3-chloro-1-[(2,5-difluorophenyl)methyl]piperidine?
The canonical SMILES for 3-chloro-1-[(2,5-difluorophenyl)methyl]piperidine is Fc1ccc(F)c(CN2CCCC(Cl)C2)c1.
What is the InChIKey of 3-chloro-1-[(2,5-difluorophenyl)methyl]piperidine?
The InChIKey is UJOPJCRSYIUTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N/c13-10-2-1-5-16(8-10)7-9-6-11(14)3-4-12(9)15/h3-4,6,10H,1-2,5,7-8H2.
What are the key properties of 3-chloro-1-[(2,5-difluorophenyl)methyl]piperidine?
3-chloro-1-[(2,5-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 3-chloro-1-[(2,5-difluorophenyl)methyl]piperidine is sourced from PubChem (CID 63386784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).