[1-(2-methoxyphenyl)-2,2-dimethylpiperidin-3-yl]methanamine

C15H24N2O — CID 117019738

IUPAC[1-(2-methoxyphenyl)-2,2-dimethylpiperidin-3-yl]methanamine
SMILESCOc1ccccc1N1CCCC(CN)C1(C)C
InChIInChI=1S/C15H24N2O/c1-15(2)12(11-16)7-6-10-17(15)13-8-4-5-9-14(13)18-3/h4-5,8-9,12H,6-7,10-11,16H2,1-3H3
InChIKeyXWKJJUNDXOUGBB-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.65
Rot. Bonds3

About [1-(2-methoxyphenyl)-2,2-dimethylpiperidin-3-yl]methanamine

[1-(2-methoxyphenyl)-2,2-dimethylpiperidin-3-yl]methanamine (PubChem CID 117019738) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [1-(2-methoxyphenyl)-2,2-dimethylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methoxyphenyl)-2,2-dimethylpiperidin-3-yl]methanamine
PubChem CID117019738
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[1-(2-methoxyphenyl)-2,2-dimethylpiperidin-3-yl]methanamine
SMILESCOc1ccccc1N1CCCC(CN)C1(C)C
InChIInChI=1S/C15H24N2O/c1-15(2)12(11-16)7-6-10-17(15)13-8-4-5-9-14(13)18-3/h4-5,8-9,12H,6-7,10-11,16H2,1-3H3
InChIKeyXWKJJUNDXOUGBB-UHFFFAOYSA-N
XLogP2.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid
CID 117017371
1-(2-tert-butylphenyl)-2,2-dimethylpiperidin-3-amine
CID 117019215
1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-amine
CID 117019217
2-[1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine
CID 117017594
2-[1-(2-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine
CID 117017576
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477
1-[4-[3-(aminomethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone
CID 117019745
[(1R)-2-(2-methoxyphenyl)-2-methylcyclopropyl]methanamine
CID 105445462
2-[1-(2-methoxyphenyl)piperidin-2-yl]ethanamine
CID 82389615
[1-(4-chloro-2-methylphenyl)-2,2-dimethylpyrrolidin-3-yl]methanamine
CID 117017658
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-amine
CID 10708578
2-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanamine
CID 51657078

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyphenyl)-2,2-dimethylpiperidin-3-yl]methanamine?
The IUPAC name of [1-(2-methoxyphenyl)-2,2-dimethylpiperidin-3-yl]methanamine (CID 117019738) is [1-(2-methoxyphenyl)-2,2-dimethylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-methoxyphenyl)-2,2-dimethylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-(2-methoxyphenyl)-2,2-dimethylpiperidin-3-yl]methanamine is COc1ccccc1N1CCCC(CN)C1(C)C.
What is the InChIKey of [1-(2-methoxyphenyl)-2,2-dimethylpiperidin-3-yl]methanamine?
The InChIKey is XWKJJUNDXOUGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2)12(11-16)7-6-10-17(15)13-8-4-5-9-14(13)18-3/h4-5,8-9,12H,6-7,10-11,16H2,1-3H3.
What are the key properties of [1-(2-methoxyphenyl)-2,2-dimethylpiperidin-3-yl]methanamine?
[1-(2-methoxyphenyl)-2,2-dimethylpiperidin-3-yl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyphenyl)-2,2-dimethylpiperidin-3-yl]methanamine is sourced from PubChem (CID 117019738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).