4-[(3,4-dichlorophenyl)-fluoromethyl]piperidine

C12H14Cl2FN — CID 112563633

IUPAC4-[(3,4-dichlorophenyl)-fluoromethyl]piperidine
SMILESFC(c1ccc(Cl)c(Cl)c1)C1CCNCC1
InChIInChI=1S/C12H14Cl2FN/c13-10-2-1-9(7-11(10)14)12(15)8-3-5-16-6-4-8/h1-2,7-8,12,16H,3-6H2
InChIKeyXYDQPMFPSDPENM-UHFFFAOYSA-N
MW262.15 g/mol
LogP4.00
Rot. Bonds2

About 4-[(3,4-dichlorophenyl)-fluoromethyl]piperidine

4-[(3,4-dichlorophenyl)-fluoromethyl]piperidine (PubChem CID 112563633) has the molecular formula C12H14Cl2FN and a molecular weight of 262.15 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)-fluoromethyl]piperidine.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)-fluoromethyl]piperidine
PubChem CID112563633
Molecular FormulaC12H14Cl2FN
Molecular Weight262.15 g/mol
Exact Mass261.05
IUPAC Name4-[(3,4-dichlorophenyl)-fluoromethyl]piperidine
SMILESFC(c1ccc(Cl)c(Cl)c1)C1CCNCC1
InChIInChI=1S/C12H14Cl2FN/c13-10-2-1-9(7-11(10)14)12(15)8-3-5-16-6-4-8/h1-2,7-8,12,16H,3-6H2
InChIKeyXYDQPMFPSDPENM-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[(3,4-dichlorophenyl)-fluoromethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314201
4-[(4-bromophenyl)-fluoromethyl]piperidine
CID 84730148
5-[fluoro(piperidin-4-yl)methyl]pyrimidine
CID 112563760
2-(3,4-dichlorophenyl)-N,N-dimethyl-2-piperidin-4-ylacetamide;hydrochloride
CID 71727884
1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171274925
4-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]piperidine
CID 104545402
(4-chloro-3-methylphenyl)-piperidin-4-ylmethanol
CID 82341457
1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171287555
4-[fluoro(phenyl)methyl]azepane
CID 84722518
4-[fluoro-(3-propylphenyl)methyl]piperidine
CID 116546553
4-[(2-chlorophenyl)-fluoromethyl]azepane
CID 84728201
4-[(R)-amino(piperidin-4-yl)methyl]-2-chlorophenol
CID 171314242

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)-fluoromethyl]piperidine?
The IUPAC name of 4-[(3,4-dichlorophenyl)-fluoromethyl]piperidine (CID 112563633) is 4-[(3,4-dichlorophenyl)-fluoromethyl]piperidine.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)-fluoromethyl]piperidine?
The canonical SMILES for 4-[(3,4-dichlorophenyl)-fluoromethyl]piperidine is FC(c1ccc(Cl)c(Cl)c1)C1CCNCC1.
What is the InChIKey of 4-[(3,4-dichlorophenyl)-fluoromethyl]piperidine?
The InChIKey is XYDQPMFPSDPENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2FN/c13-10-2-1-9(7-11(10)14)12(15)8-3-5-16-6-4-8/h1-2,7-8,12,16H,3-6H2.
What are the key properties of 4-[(3,4-dichlorophenyl)-fluoromethyl]piperidine?
4-[(3,4-dichlorophenyl)-fluoromethyl]piperidine has a molecular weight of 262.15 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)-fluoromethyl]piperidine is sourced from PubChem (CID 112563633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).