[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine

C16H26N2O — CID 65338758

IUPAC[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine
SMILESCOc1ccc(CN2CCC(C)(C)CC2)cc1CN
InChIInChI=1S/C16H26N2O/c1-16(2)6-8-18(9-7-16)12-13-4-5-15(19-3)14(10-13)11-17/h4-5,10H,6-9,11-12,17H2,1-3H3
InChIKeyOEIPEIFLYLCYIK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.78
Rot. Bonds4

About [5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine

[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine (PubChem CID 65338758) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine
PubChem CID65338758
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine
SMILESCOc1ccc(CN2CCC(C)(C)CC2)cc1CN
InChIInChI=1S/C16H26N2O/c1-16(2)6-8-18(9-7-16)12-13-4-5-15(19-3)14(10-13)11-17/h4-5,10H,6-9,11-12,17H2,1-3H3
InChIKeyOEIPEIFLYLCYIK-UHFFFAOYSA-N
XLogP2.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 106785590
[2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341079
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-methylpiperidin-4-ol
CID 106785659
1-[4-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperazin-1-yl]ethanone
CID 65340739
[5-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxyphenyl]methanamine
CID 65340796
[2-methoxy-5-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341268
5-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenol
CID 82981011
1-[(3-bromo-4-methoxyphenyl)methyl]-4,4-dimethylazepane
CID 65282649
1-[(3,4-dimethoxyphenyl)methyl]-4-methylpiperidin-4-amine
CID 82122424
[2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenyl]methanamine
CID 65338957
2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]ethanol
CID 114797239
[2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341173

Frequently Asked Questions

What is the IUPAC name of [5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine?
The IUPAC name of [5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine (CID 65338758) is [5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine.
What is the SMILES notation for [5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine?
The canonical SMILES for [5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine is COc1ccc(CN2CCC(C)(C)CC2)cc1CN.
What is the InChIKey of [5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine?
The InChIKey is OEIPEIFLYLCYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2)6-8-18(9-7-16)12-13-4-5-15(19-3)14(10-13)11-17/h4-5,10H,6-9,11-12,17H2,1-3H3.
What are the key properties of [5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine?
[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine is sourced from PubChem (CID 65338758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).