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

C15H24N2O2 — CID 106785727

IUPAC1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-3-methylpiperidin-3-ol
SMILESCOc1cc(CN2CCCC(C)(O)C2)ccc1CN
InChIInChI=1S/C15H24N2O2/c1-15(18)6-3-7-17(11-15)10-12-4-5-13(9-16)14(8-12)19-2/h4-5,8,18H,3,6-7,9-11,16H2,1-2H3
InChIKeyHAWDBOYLDFHVME-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.50
Rot. Bonds4

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

1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-3-methylpiperidin-3-ol (PubChem CID 106785727) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-3-methylpiperidin-3-ol
PubChem CID106785727
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-3-methylpiperidin-3-ol
SMILESCOc1cc(CN2CCCC(C)(O)C2)ccc1CN
InChIInChI=1S/C15H24N2O2/c1-15(18)6-3-7-17(11-15)10-12-4-5-13(9-16)14(8-12)19-2/h4-5,8,18H,3,6-7,9-11,16H2,1-2H3
InChIKeyHAWDBOYLDFHVME-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-methylpiperidin-4-ol
CID 106785659
[4-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 106785590
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-3,4-diol
CID 106785777
[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
CID 84754851
1-[(3-amino-4-methoxyphenyl)methyl]-4-methylazepan-4-ol
CID 107403894
1-[(3,4-difluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 115873594
4-[(4-hydroxy-4-methylazepan-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 107404848
[4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine
CID 106785461
[2-methoxy-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 106785252
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
[4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyphenyl]methanamine
CID 106785322
2-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetohydrazide
CID 105352110

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-3-methylpiperidin-3-ol?
The IUPAC name of 1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-3-methylpiperidin-3-ol (CID 106785727) is 1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-3-methylpiperidin-3-ol?
The canonical SMILES for 1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-3-methylpiperidin-3-ol is COc1cc(CN2CCCC(C)(O)C2)ccc1CN.
What is the InChIKey of 1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-3-methylpiperidin-3-ol?
The InChIKey is HAWDBOYLDFHVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(18)6-3-7-17(11-15)10-12-4-5-13(9-16)14(8-12)19-2/h4-5,8,18H,3,6-7,9-11,16H2,1-2H3.
What are the key properties of 1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-3-methylpiperidin-3-ol?
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-3-methylpiperidin-3-ol has a molecular weight of 264.37 g/mol, XLogP of 1.50, 4 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]-3-methylpiperidin-3-ol is sourced from PubChem (CID 106785727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).