1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine

C16H26N2O — CID 117411138

IUPAC1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine
SMILESCOc1c(CC2CCCNC2)cccc1CN(C)C
InChIInChI=1S/C16H26N2O/c1-18(2)12-15-8-4-7-14(16(15)19-3)10-13-6-5-9-17-11-13/h4,7-8,13,17H,5-6,9-12H2,1-3H3
InChIKeyQXEGAHJWYSVSLS-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.30
Rot. Bonds5

About 1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine

1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine (PubChem CID 117411138) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine
PubChem CID117411138
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine
SMILESCOc1c(CC2CCCNC2)cccc1CN(C)C
InChIInChI=1S/C16H26N2O/c1-18(2)12-15-8-4-7-14(16(15)19-3)10-13-6-5-9-17-11-13/h4,7-8,13,17H,5-6,9-12H2,1-3H3
InChIKeyQXEGAHJWYSVSLS-UHFFFAOYSA-N
XLogP2.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine 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

N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine
CID 84795677
3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine
CID 84810047
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
2-methoxy-6-(piperidin-3-ylmethyl)phenol
CID 117316206
3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine
CID 84808890
2-fluoro-N,N-dimethyl-6-(piperidin-3-ylmethyl)aniline
CID 117118019
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
3-[[3-methoxy-2-(oxetan-3-yloxy)phenyl]methyl]piperidine
CID 117444661
1-[2-bromo-4-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine
CID 117496154
4-methoxy-5-(piperidin-3-ylmethyl)-1H-indole
CID 117363152
3-[[2,4-dimethoxy-3-(methoxymethyl)phenyl]methyl]piperidine
CID 117448288
4-(piperidin-3-ylmethyl)-1H-indole
CID 84783545

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine (CID 117411138) is 1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine is COc1c(CC2CCCNC2)cccc1CN(C)C.
What is the InChIKey of 1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine?
The InChIKey is QXEGAHJWYSVSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(2)12-15-8-4-7-14(16(15)19-3)10-13-6-5-9-17-11-13/h4,7-8,13,17H,5-6,9-12H2,1-3H3.
What are the key properties of 1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine?
1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 117411138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).