1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-methylpiperidin-4-ol

C15H24N2O2 — CID 114678058

IUPAC1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-methylpiperidin-4-ol
SMILESCOc1ccc(CN)cc1CN1CCC(O)C(C)C1
InChIInChI=1S/C15H24N2O2/c1-11-9-17(6-5-14(11)18)10-13-7-12(8-16)3-4-15(13)19-2/h3-4,7,11,14,18H,5-6,8-10,16H2,1-2H3
InChIKeyCLMMSVXOMJZUGQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.36
Rot. Bonds4

About 1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-methylpiperidin-4-ol

1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-methylpiperidin-4-ol (PubChem CID 114678058) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-methylpiperidin-4-ol
PubChem CID114678058
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-methylpiperidin-4-ol
SMILESCOc1ccc(CN)cc1CN1CCC(O)C(C)C1
InChIInChI=1S/C15H24N2O2/c1-11-9-17(6-5-14(11)18)10-13-7-12(8-16)3-4-15(13)19-2/h3-4,7,11,14,18H,5-6,8-10,16H2,1-2H3
InChIKeyCLMMSVXOMJZUGQ-UHFFFAOYSA-N
XLogP1.36
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanamine
CID 62018729
[4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 62017605
[3-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]methanamine
CID 63611034
[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methoxyphenyl]methanamine
CID 115559132
[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methoxyphenyl]methanamine
CID 103531243
1-[[3-(aminomethyl)phenyl]methyl]-3-methylpiperidin-4-ol
CID 114678032
[2-methoxy-5-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341268
2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]ethanol
CID 114797239
[2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341079
2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanol
CID 107227284
1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62917327
[3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol
CID 62018213

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-methylpiperidin-4-ol (CID 114678058) is 1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-methylpiperidin-4-ol is COc1ccc(CN)cc1CN1CCC(O)C(C)C1.
What is the InChIKey of 1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-methylpiperidin-4-ol?
The InChIKey is CLMMSVXOMJZUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-9-17(6-5-14(11)18)10-13-7-12(8-16)3-4-15(13)19-2/h3-4,7,11,14,18H,5-6,8-10,16H2,1-2H3.
What are the key properties of 1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-methylpiperidin-4-ol?
1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-methylpiperidin-4-ol has a molecular weight of 264.37 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114678058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).