[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-2-yl]methanol

C15H24N2O2 — CID 106785288

IUPAC[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-2-yl]methanol
SMILESCOc1cc(CN2CCCCC2CO)ccc1CN
InChIInChI=1S/C15H24N2O2/c1-19-15-8-12(5-6-13(15)9-16)10-17-7-3-2-4-14(17)11-18/h5-6,8,14,18H,2-4,7,9-11,16H2,1H3
InChIKeyZJHFGPKDXJPIHK-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.50
Rot. Bonds5

About [1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-2-yl]methanol

[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-2-yl]methanol (PubChem CID 106785288) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-2-yl]methanol
PubChem CID106785288
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-2-yl]methanol
SMILESCOc1cc(CN2CCCCC2CO)ccc1CN
InChIInChI=1S/C15H24N2O2/c1-19-15-8-12(5-6-13(15)9-16)10-17-7-3-2-4-14(17)11-18/h5-6,8,14,18H,2-4,7,9-11,16H2,1H3
InChIKeyZJHFGPKDXJPIHK-UHFFFAOYSA-N
XLogP1.50
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]azepan-2-yl]methanol
CID 116634306
[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 40542884
[1-[(4-fluoro-3-methoxyphenyl)methyl]azepan-2-yl]methanol
CID 74233978
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 106785169
5-[[2-(hydroxymethyl)azepan-1-yl]methyl]-2-methoxybenzonitrile
CID 116634766
[1-[(4-methoxy-3-nitrophenyl)methyl]azepan-2-yl]methanol
CID 116637425
[2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341173
N-[[4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methyl]propan-2-amine
CID 84745826
[1-[[4-(aminomethyl)-2-fluorophenyl]methyl]azepan-2-yl]methanol
CID 116634283
[(2R)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]methanol
CID 99960060
2-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]azepane
CID 116638601
1-[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-4-yl]ethanol
CID 106835613

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-2-yl]methanol (CID 106785288) is [1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-2-yl]methanol is COc1cc(CN2CCCCC2CO)ccc1CN.
What is the InChIKey of [1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-2-yl]methanol?
The InChIKey is ZJHFGPKDXJPIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-19-15-8-12(5-6-13(15)9-16)10-17-7-3-2-4-14(17)11-18/h5-6,8,14,18H,2-4,7,9-11,16H2,1H3.
What are the key properties of [1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-2-yl]methanol?
[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-2-yl]methanol has a molecular weight of 264.37 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 106785288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).