[4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine

C16H26N2O — CID 84754831

IUPAC[4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine
SMILESCOc1cc(CN2CC(C)CC(C)C2)ccc1CN
InChIInChI=1S/C16H26N2O/c1-12-6-13(2)10-18(9-12)11-14-4-5-15(8-17)16(7-14)19-3/h4-5,7,12-13H,6,8-11,17H2,1-3H3
InChIKeyJAJVYMQZPTUGJX-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.63
Rot. Bonds4

About [4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine

[4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine (PubChem CID 84754831) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine
PubChem CID84754831
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine
SMILESCOc1cc(CN2CC(C)CC(C)C2)ccc1CN
InChIInChI=1S/C16H26N2O/c1-12-6-13(2)10-18(9-12)11-14-4-5-15(8-17)16(7-14)19-3/h4-5,7,12-13H,6,8-11,17H2,1-3H3
InChIKeyJAJVYMQZPTUGJX-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-3,4-diol
CID 106785777
(3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine
CID 784275
[4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine
CID 106785461
[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
CID 84754851
[4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyphenyl]methanamine
CID 106785322
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,N-dimethylpiperidin-4-amine
CID 106785254
[2-methoxy-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 106785252
[2-methoxy-5-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341268
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-methylpiperidin-4-ol
CID 106785659
1-[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-4-yl]ethanol
CID 106835613
[2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341079
5-[(3-amino-5-methylpiperidin-1-yl)methyl]-2-methoxybenzonitrile
CID 79986953

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine?
The IUPAC name of [4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine (CID 84754831) is [4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine.
What is the SMILES notation for [4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine?
The canonical SMILES for [4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine is COc1cc(CN2CC(C)CC(C)C2)ccc1CN.
What is the InChIKey of [4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine?
The InChIKey is JAJVYMQZPTUGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-6-13(2)10-18(9-12)11-14-4-5-15(8-17)16(7-14)19-3/h4-5,7,12-13H,6,8-11,17H2,1-3H3.
What are the key properties of [4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine?
[4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine is sourced from PubChem (CID 84754831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).