3-[4-methoxy-2-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine

C17H24N2O2 — CID 102964528

IUPAC3-[4-methoxy-2-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
SMILESCOc1ccc(C#CCN)c(CN2CCCC(OC)C2)c1
InChIInChI=1S/C17H24N2O2/c1-20-16-8-7-14(5-3-9-18)15(11-16)12-19-10-4-6-17(13-19)21-2/h7-8,11,17H,4,6,9-10,12-13,18H2,1-2H3
InChIKeyHGXRFVIZMZTPMC-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.62
Rot. Bonds4

About 3-[4-methoxy-2-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine

3-[4-methoxy-2-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine (PubChem CID 102964528) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-[4-methoxy-2-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[4-methoxy-2-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
PubChem CID102964528
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-[4-methoxy-2-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
SMILESCOc1ccc(C#CCN)c(CN2CCCC(OC)C2)c1
InChIInChI=1S/C17H24N2O2/c1-20-16-8-7-14(5-3-9-18)15(11-16)12-19-10-4-6-17(13-19)21-2/h7-8,11,17H,4,6,9-10,12-13,18H2,1-2H3
InChIKeyHGXRFVIZMZTPMC-UHFFFAOYSA-N
XLogP1.62
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-[4-methoxy-2-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-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

3-[4-methoxy-2-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 103537537
3-[4-methoxy-2-[(3-methylpyrrolidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 65325305
3-[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]prop-2-yn-1-amine
CID 79183515
3-[3-fluoro-5-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 102964533
3-[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-amine
CID 106588436
(3S)-1-[(2-bromo-5-methoxyphenyl)methyl]-3-methoxypyrrolidine
CID 172647769
1-[(2-bromo-4-methoxyphenyl)methyl]-3-methoxypyrrolidine
CID 172647740
4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline
CID 115413955
3-[2-methoxy-5-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 102964619
[2-[(3-methoxypiperidin-1-yl)methyl]furan-3-yl]methanamine
CID 102968055
3-[4-methoxy-2-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 65322620
3-[2-[[cyclopropylmethyl(ethyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-amine
CID 65325221

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-2-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[4-methoxy-2-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine (CID 102964528) is 3-[4-methoxy-2-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[4-methoxy-2-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[4-methoxy-2-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine is COc1ccc(C#CCN)c(CN2CCCC(OC)C2)c1.
What is the InChIKey of 3-[4-methoxy-2-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine?
The InChIKey is HGXRFVIZMZTPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-20-16-8-7-14(5-3-9-18)15(11-16)12-19-10-4-6-17(13-19)21-2/h7-8,11,17H,4,6,9-10,12-13,18H2,1-2H3.
What are the key properties of 3-[4-methoxy-2-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine?
3-[4-methoxy-2-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine has a molecular weight of 288.39 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-2-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 102964528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).