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

C13H18FNO — CID 83823063

IUPAC4-fluoro-4-[(3-methoxyphenyl)methyl]piperidine
SMILESCOc1cccc(CC2(F)CCNCC2)c1
InChIInChI=1S/C13H18FNO/c1-16-12-4-2-3-11(9-12)10-13(14)5-7-15-8-6-13/h2-4,9,15H,5-8,10H2,1H3
InChIKeyNNMSOUGEYQOVHX-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.33
Rot. Bonds3

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

4-fluoro-4-[(3-methoxyphenyl)methyl]piperidine (PubChem CID 83823063) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-fluoro-4-[(3-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-fluoro-4-[(3-methoxyphenyl)methyl]piperidine
PubChem CID83823063
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-fluoro-4-[(3-methoxyphenyl)methyl]piperidine
SMILESCOc1cccc(CC2(F)CCNCC2)c1
InChIInChI=1S/C13H18FNO/c1-16-12-4-2-3-11(9-12)10-13(14)5-7-15-8-6-13/h2-4,9,15H,5-8,10H2,1H3
InChIKeyNNMSOUGEYQOVHX-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-4-[(3-methoxyphenyl)methyl]azepane
CID 113361771
1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene
CID 84720329
3-[(3-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63140807
1-[(3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 62669869
(3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine
CID 124547155
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]piperidin-4-ol
CID 62221334
2-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)azetidine
CID 115058809
3-[2-(3-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70742509
4-methoxy-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119678226
1-[[1-(chloromethyl)cyclopentyl]methyl]-3-methoxybenzene
CID 66034461
4-[(3-methoxyphenoxy)methyl]piperidin-4-ol
CID 81042080
(3-methoxyphenyl)(113C)methanol
CID 11593446

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[(3-methoxyphenyl)methyl]piperidine?
The IUPAC name of 4-fluoro-4-[(3-methoxyphenyl)methyl]piperidine (CID 83823063) is 4-fluoro-4-[(3-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 4-fluoro-4-[(3-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 4-fluoro-4-[(3-methoxyphenyl)methyl]piperidine is COc1cccc(CC2(F)CCNCC2)c1.
What is the InChIKey of 4-fluoro-4-[(3-methoxyphenyl)methyl]piperidine?
The InChIKey is NNMSOUGEYQOVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-16-12-4-2-3-11(9-12)10-13(14)5-7-15-8-6-13/h2-4,9,15H,5-8,10H2,1H3.
What are the key properties of 4-fluoro-4-[(3-methoxyphenyl)methyl]piperidine?
4-fluoro-4-[(3-methoxyphenyl)methyl]piperidine has a molecular weight of 223.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[(3-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 83823063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).