4-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoropiperidine

C13H17ClFNO — CID 112563142

IUPAC4-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoropiperidine
SMILESCOc1ccc(Cl)cc1CC1(F)CCNCC1
InChIInChI=1S/C13H17ClFNO/c1-17-12-3-2-11(14)8-10(12)9-13(15)4-6-16-7-5-13/h2-3,8,16H,4-7,9H2,1H3
InChIKeyMBAVNWKFWZPOKK-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.98
Rot. Bonds3

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

4-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoropiperidine (PubChem CID 112563142) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 4-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoropiperidine.

Molecular Properties

Compound Name4-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoropiperidine
PubChem CID112563142
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name4-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoropiperidine
SMILESCOc1ccc(Cl)cc1CC1(F)CCNCC1
InChIInChI=1S/C13H17ClFNO/c1-17-12-3-2-11(14)8-10(12)9-13(15)4-6-16-7-5-13/h2-3,8,16H,4-7,9H2,1H3
InChIKeyMBAVNWKFWZPOKK-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine
CID 83823068
3-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoropyrrolidine
CID 112564422
4-[2-(5-chloro-2-methoxyphenyl)ethyl]piperidine
CID 75357498
4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene
CID 66034885
4-[(5-chloro-2-methoxyphenyl)methyl]-3-ethylpiperidin-4-ol
CID 114510368
[2-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 83079886
4-chloro-2-(fluoromethyl)-1-methoxybenzene
CID 142810663
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
3-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-chlorophenyl)azetidine
CID 79461001
2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891160
4-[(3-bromo-4-methoxyphenyl)methyl]-4-fluoroazepane
CID 103983926
4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 65146901

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoropiperidine?
The IUPAC name of 4-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoropiperidine (CID 112563142) is 4-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoropiperidine.
What is the SMILES notation for 4-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoropiperidine?
The canonical SMILES for 4-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoropiperidine is COc1ccc(Cl)cc1CC1(F)CCNCC1.
What is the InChIKey of 4-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoropiperidine?
The InChIKey is MBAVNWKFWZPOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-17-12-3-2-11(14)8-10(12)9-13(15)4-6-16-7-5-13/h2-3,8,16H,4-7,9H2,1H3.
What are the key properties of 4-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoropiperidine?
4-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoropiperidine has a molecular weight of 257.74 g/mol, XLogP of 2.98, 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-methoxyphenyl)methyl]-4-fluoropiperidine is sourced from PubChem (CID 112563142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).