4-[2-(3-chlorophenyl)-1-fluoroethyl]piperidine

C13H17ClFN — CID 112563625

IUPAC4-[2-(3-chlorophenyl)-1-fluoroethyl]piperidine
SMILESFC(Cc1cccc(Cl)c1)C1CCNCC1
InChIInChI=1S/C13H17ClFN/c14-12-3-1-2-10(8-12)9-13(15)11-4-6-16-7-5-11/h1-3,8,11,13,16H,4-7,9H2
InChIKeyPXIDUCKWFNVLNW-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.22
Rot. Bonds3

About 4-[2-(3-chlorophenyl)-1-fluoroethyl]piperidine

4-[2-(3-chlorophenyl)-1-fluoroethyl]piperidine (PubChem CID 112563625) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)-1-fluoroethyl]piperidine.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)-1-fluoroethyl]piperidine
PubChem CID112563625
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name4-[2-(3-chlorophenyl)-1-fluoroethyl]piperidine
SMILESFC(Cc1cccc(Cl)c1)C1CCNCC1
InChIInChI=1S/C13H17ClFN/c14-12-3-1-2-10(8-12)9-13(15)11-4-6-16-7-5-11/h1-3,8,11,13,16H,4-7,9H2
InChIKeyPXIDUCKWFNVLNW-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-(3,4-difluorophenyl)-1-fluoroethyl]piperidine
CID 112563630
4-[2-(3-bromo-4-fluorophenyl)-1-fluoroethyl]piperidine
CID 112563662
4-[2-(2,6-difluorophenyl)-1-fluoroethyl]piperidine
CID 114935288
2-(3-chlorophenyl)-1-piperidin-4-ylethanamine;2,2-difluoropropanoic acid;2,2,2-trifluoroacetic acid
CID 143151118
1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene
CID 63016501
(R)-(3-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314128
2-(3-chlorophenyl)-1-cyclopentylethanamine
CID 60818439
1-chloro-3-(2-methylpropyl)benzene;propan-2-ylcyclobutane
CID 163536568
2-(3-chlorophenyl)-1-cycloheptylethanol
CID 63518276
4-[(3-chlorophenyl)methyl]-3,3-difluoropiperidine
CID 84705382
N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351
1-(2-bromo-3-cyclopentylpropyl)-3-chlorobenzene
CID 63530757

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)-1-fluoroethyl]piperidine?
The IUPAC name of 4-[2-(3-chlorophenyl)-1-fluoroethyl]piperidine (CID 112563625) is 4-[2-(3-chlorophenyl)-1-fluoroethyl]piperidine.
What is the SMILES notation for 4-[2-(3-chlorophenyl)-1-fluoroethyl]piperidine?
The canonical SMILES for 4-[2-(3-chlorophenyl)-1-fluoroethyl]piperidine is FC(Cc1cccc(Cl)c1)C1CCNCC1.
What is the InChIKey of 4-[2-(3-chlorophenyl)-1-fluoroethyl]piperidine?
The InChIKey is PXIDUCKWFNVLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c14-12-3-1-2-10(8-12)9-13(15)11-4-6-16-7-5-11/h1-3,8,11,13,16H,4-7,9H2.
What are the key properties of 4-[2-(3-chlorophenyl)-1-fluoroethyl]piperidine?
4-[2-(3-chlorophenyl)-1-fluoroethyl]piperidine has a molecular weight of 241.74 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)-1-fluoroethyl]piperidine is sourced from PubChem (CID 112563625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).