4-[(3-chloro-6-fluoro-2-methoxyphenyl)methyl]piperidine

C13H17ClFNO — CID 117398054

IUPAC4-[(3-chloro-6-fluoro-2-methoxyphenyl)methyl]piperidine
SMILESCOc1c(Cl)ccc(F)c1CC1CCNCC1
InChIInChI=1S/C13H17ClFNO/c1-17-13-10(12(15)3-2-11(13)14)8-9-4-6-16-7-5-9/h2-3,9,16H,4-8H2,1H3
InChIKeyLOWOWTZNHKYHMV-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.03
Rot. Bonds3

About 4-[(3-chloro-6-fluoro-2-methoxyphenyl)methyl]piperidine

4-[(3-chloro-6-fluoro-2-methoxyphenyl)methyl]piperidine (PubChem CID 117398054) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 4-[(3-chloro-6-fluoro-2-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(3-chloro-6-fluoro-2-methoxyphenyl)methyl]piperidine
PubChem CID117398054
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name4-[(3-chloro-6-fluoro-2-methoxyphenyl)methyl]piperidine
SMILESCOc1c(Cl)ccc(F)c1CC1CCNCC1
InChIInChI=1S/C13H17ClFNO/c1-17-13-10(12(15)3-2-11(13)14)8-9-4-6-16-7-5-9/h2-3,9,16H,4-8H2,1H3
InChIKeyLOWOWTZNHKYHMV-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

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Related Compounds

4-[(6-chloro-3-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398051
4-[(3-chloro-2-methoxy-6-methylphenyl)methyl]piperidine
CID 117387735
4-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 117387720
4-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]piperidine
CID 117398048
4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine
CID 83809598
4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine
CID 82823243
4-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 117398047
4-[(4-chloro-2-methoxyphenyl)methyl]piperidine
CID 84800099
4-[(2,4,5-trifluoro-3-methoxyphenyl)methyl]piperidine
CID 117117929
4-[(6-bromo-3-chloro-2-fluorophenyl)methyl]piperidine
CID 117491842
3-[(2,6-difluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 84791339
3-[(6-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386358

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-6-fluoro-2-methoxyphenyl)methyl]piperidine?
The IUPAC name of 4-[(3-chloro-6-fluoro-2-methoxyphenyl)methyl]piperidine (CID 117398054) is 4-[(3-chloro-6-fluoro-2-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(3-chloro-6-fluoro-2-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 4-[(3-chloro-6-fluoro-2-methoxyphenyl)methyl]piperidine is COc1c(Cl)ccc(F)c1CC1CCNCC1.
What is the InChIKey of 4-[(3-chloro-6-fluoro-2-methoxyphenyl)methyl]piperidine?
The InChIKey is LOWOWTZNHKYHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-17-13-10(12(15)3-2-11(13)14)8-9-4-6-16-7-5-9/h2-3,9,16H,4-8H2,1H3.
What are the key properties of 4-[(3-chloro-6-fluoro-2-methoxyphenyl)methyl]piperidine?
4-[(3-chloro-6-fluoro-2-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-[(3-chloro-6-fluoro-2-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 117398054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).