[1-[(4-fluoro-3-methoxyphenyl)methyl]azepan-2-yl]methanol

C15H22FNO2 — CID 74233978

IUPAC[1-[(4-fluoro-3-methoxyphenyl)methyl]azepan-2-yl]methanol
SMILESCOc1cc(CN2CCCCCC2CO)ccc1F
InChIInChI=1S/C15H22FNO2/c1-19-15-9-12(6-7-14(15)16)10-17-8-4-2-3-5-13(17)11-18/h6-7,9,13,18H,2-5,8,10-11H2,1H3
InChIKeyHXLSPVOYYMCMAG-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.57
Rot. Bonds4

About [1-[(4-fluoro-3-methoxyphenyl)methyl]azepan-2-yl]methanol

[1-[(4-fluoro-3-methoxyphenyl)methyl]azepan-2-yl]methanol (PubChem CID 74233978) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is [1-[(4-fluoro-3-methoxyphenyl)methyl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[(4-fluoro-3-methoxyphenyl)methyl]azepan-2-yl]methanol
PubChem CID74233978
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name[1-[(4-fluoro-3-methoxyphenyl)methyl]azepan-2-yl]methanol
SMILESCOc1cc(CN2CCCCCC2CO)ccc1F
InChIInChI=1S/C15H22FNO2/c1-19-15-9-12(6-7-14(15)16)10-17-8-4-2-3-5-13(17)11-18/h6-7,9,13,18H,2-5,8,10-11H2,1H3
InChIKeyHXLSPVOYYMCMAG-UHFFFAOYSA-N
XLogP2.57
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 40542884
[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-2-yl]methanol
CID 106785288
[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]azepan-2-yl]methanol
CID 116634306
5-[[2-(hydroxymethyl)azepan-1-yl]methyl]-2-methoxybenzonitrile
CID 116634766
[1-[(4-methoxy-3-nitrophenyl)methyl]azepan-2-yl]methanol
CID 116637425
2-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]azepane
CID 116638601
(2S)-1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)piperidine
CID 99951624
[1-[(3-fluoro-4-nitrophenyl)methyl]azepan-2-yl]methanol
CID 116634428
3-[5-[(2-ethylazepan-1-yl)methyl]-2-fluorophenyl]prop-2-yn-1-ol
CID 104691429
N-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-2-yl]methyl]ethanamine
CID 62580393
[(2R)-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62733109
methyl 2-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]acetate
CID 78969714

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluoro-3-methoxyphenyl)methyl]azepan-2-yl]methanol?
The IUPAC name of [1-[(4-fluoro-3-methoxyphenyl)methyl]azepan-2-yl]methanol (CID 74233978) is [1-[(4-fluoro-3-methoxyphenyl)methyl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[(4-fluoro-3-methoxyphenyl)methyl]azepan-2-yl]methanol?
The canonical SMILES for [1-[(4-fluoro-3-methoxyphenyl)methyl]azepan-2-yl]methanol is COc1cc(CN2CCCCCC2CO)ccc1F.
What is the InChIKey of [1-[(4-fluoro-3-methoxyphenyl)methyl]azepan-2-yl]methanol?
The InChIKey is HXLSPVOYYMCMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-19-15-9-12(6-7-14(15)16)10-17-8-4-2-3-5-13(17)11-18/h6-7,9,13,18H,2-5,8,10-11H2,1H3.
What are the key properties of [1-[(4-fluoro-3-methoxyphenyl)methyl]azepan-2-yl]methanol?
[1-[(4-fluoro-3-methoxyphenyl)methyl]azepan-2-yl]methanol has a molecular weight of 267.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluoro-3-methoxyphenyl)methyl]azepan-2-yl]methanol is sourced from PubChem (CID 74233978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).