1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride

C15H25ClN2O2 — CID 75493797

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(Cc2ccc(OC)cc2OC)C1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-16-13-5-4-8-17(11-13)10-12-6-7-14(18-2)9-15(12)19-3;/h6-7,9,13,16H,4-5,8,10-11H2,1-3H3;1H
InChIKeyIECNBABTBJCGAQ-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.31
Rot. Bonds5

About 1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride

1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride (PubChem CID 75493797) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
PubChem CID75493797
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(Cc2ccc(OC)cc2OC)C1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-16-13-5-4-8-17(11-13)10-12-6-7-14(18-2)9-15(12)19-3;/h6-7,9,13,16H,4-5,8,10-11H2,1-3H3;1H
InChIKeyIECNBABTBJCGAQ-UHFFFAOYSA-N
XLogP2.31
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol
CID 754063
1-[(2,4-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63362955
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-propoxypiperidine
CID 99955836
N-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide
CID 55644626
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 172891896
ethyl (3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxylate
CID 1377071
1-[(2-methoxy-5-nitrophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119919666
N-(2,5-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919183
2-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92594818
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
N-[[1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 63363167
1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119918436

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride (CID 75493797) is 1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride is CNC1CCCN(Cc2ccc(OC)cc2OC)C1.Cl.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride?
The InChIKey is IECNBABTBJCGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-16-13-5-4-8-17(11-13)10-12-6-7-14(18-2)9-15(12)19-3;/h6-7,9,13,16H,4-5,8,10-11H2,1-3H3;1H.
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride?
1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 75493797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).