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

C13H18FNO — CID 84789117

IUPAC3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
SMILESCOc1cc(F)ccc1CC1CCCNC1
InChIInChI=1S/C13H18FNO/c1-16-13-8-12(14)5-4-11(13)7-10-3-2-6-15-9-10/h4-5,8,10,15H,2-3,6-7,9H2,1H3
InChIKeyMDHQKZAYSFYDQU-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.38
Rot. Bonds3

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

3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine (PubChem CID 84789117) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
PubChem CID84789117
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
SMILESCOc1cc(F)ccc1CC1CCCNC1
InChIInChI=1S/C13H18FNO/c1-16-13-8-12(14)5-4-11(13)7-10-3-2-6-15-9-10/h4-5,8,10,15H,2-3,6-7,9H2,1H3
InChIKeyMDHQKZAYSFYDQU-UHFFFAOYSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
3-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398036
3-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 84798660
3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine
CID 84798639
3-[(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methyl]piperidine
CID 117371537
2-methoxy-6-(piperidin-3-ylmethyl)phenol
CID 117316206
3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine
CID 117476118
3-[(3-chloro-2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117464468
3-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413184
3-[(6-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386358
3-[(2-chloro-5-fluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 84802168
3-[(3,5-dimethoxy-2-methylphenyl)methyl]piperidine
CID 117377185

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine?
The IUPAC name of 3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine (CID 84789117) is 3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine is COc1cc(F)ccc1CC1CCCNC1.
What is the InChIKey of 3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine?
The InChIKey is MDHQKZAYSFYDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-16-13-8-12(14)5-4-11(13)7-10-3-2-6-15-9-10/h4-5,8,10,15H,2-3,6-7,9H2,1H3.
What are the key properties of 3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine?
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine has a molecular weight of 223.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 84789117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).