1-(2-methoxyphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine

C16H26N2O — CID 55022025

IUPAC1-(2-methoxyphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine
SMILESCOc1ccccc1C(C(C)N)N1CCCC(C)C1
InChIInChI=1S/C16H26N2O/c1-12-7-6-10-18(11-12)16(13(2)17)14-8-4-5-9-15(14)19-3/h4-5,8-9,12-13,16H,6-7,10-11,17H2,1-3H3
InChIKeyYUMWCODANRCTBF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.82
Rot. Bonds4

About 1-(2-methoxyphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine

1-(2-methoxyphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine (PubChem CID 55022025) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine
PubChem CID55022025
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(2-methoxyphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine
SMILESCOc1ccccc1C(C(C)N)N1CCCC(C)C1
InChIInChI=1S/C16H26N2O/c1-12-7-6-10-18(11-12)16(13(2)17)14-8-4-5-9-15(14)19-3/h4-5,8-9,12-13,16H,6-7,10-11,17H2,1-3H3
InChIKeyYUMWCODANRCTBF-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxyphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine 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-(2-methylphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine
CID 55018369
1-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine
CID 55018564
1-[2-amino-1-(2-methoxyphenyl)propyl]-4-methylpiperidin-3-ol
CID 102956086
2-(2-methoxyphenyl)-2-(3-methylpiperidin-1-yl)acetonitrile
CID 84756823
(2R)-2-(2,3-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine
CID 30069929
1-[1-[2-amino-1-(2-methoxyphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 115964958
1-(2-methoxyphenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine
CID 103505314
2-(2,3-dimethoxyphenyl)-2-(3-methylpiperidin-1-yl)acetic acid
CID 84747599
2-(3-methylpiperidin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanamine
CID 171158059
(3S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide
CID 98672552
1-[1-[1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975586
(3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine
CID 145119255

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine (CID 55022025) is 1-(2-methoxyphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine is COc1ccccc1C(C(C)N)N1CCCC(C)C1.
What is the InChIKey of 1-(2-methoxyphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine?
The InChIKey is YUMWCODANRCTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-7-6-10-18(11-12)16(13(2)17)14-8-4-5-9-15(14)19-3/h4-5,8-9,12-13,16H,6-7,10-11,17H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine?
1-(2-methoxyphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine is sourced from PubChem (CID 55022025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).