4-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]piperidine

C13H17ClFNO — CID 117398047

IUPAC4-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]piperidine
SMILESCOc1cc(F)c(CC2CCNCC2)cc1Cl
InChIInChI=1S/C13H17ClFNO/c1-17-13-8-12(15)10(7-11(13)14)6-9-2-4-16-5-3-9/h7-9,16H,2-6H2,1H3
InChIKeyHULGXGHVABMVOO-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.03
Rot. Bonds3

About 4-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]piperidine

4-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]piperidine (PubChem CID 117398047) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 4-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]piperidine
PubChem CID117398047
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name4-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]piperidine
SMILESCOc1cc(F)c(CC2CCNCC2)cc1Cl
InChIInChI=1S/C13H17ClFNO/c1-17-13-8-12(15)10(7-11(13)14)6-9-2-4-16-5-3-9/h7-9,16H,2-6H2,1H3
InChIKeyHULGXGHVABMVOO-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]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

4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
5-fluoro-2-methoxy-4-(piperidin-4-ylmethyl)phenol
CID 84799660
4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 82298661
4-[(4-chloro-2-methoxyphenyl)methyl]piperidine
CID 84800099
4-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 84798681
4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386378
4-[(6-chloro-3-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398051
4-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]piperidine
CID 117398048
4-[[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]methyl]piperidine
CID 117422106
3-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398036
4-[(5-chloro-3-methoxy-2-methylphenyl)methyl]piperidine
CID 117387723
4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine
CID 117377234

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]piperidine?
The IUPAC name of 4-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]piperidine (CID 117398047) is 4-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 4-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]piperidine is COc1cc(F)c(CC2CCNCC2)cc1Cl.
What is the InChIKey of 4-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]piperidine?
The InChIKey is HULGXGHVABMVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-17-13-8-12(15)10(7-11(13)14)6-9-2-4-16-5-3-9/h7-9,16H,2-6H2,1H3.
What are the key properties of 4-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]piperidine?
4-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]piperidine has a molecular weight of 257.74 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 117398047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).