(3-aminopiperidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride

C14H21ClN2O3 — CID 119377142

IUPAC(3-aminopiperidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride
SMILESCOc1cc(OC)cc(C(=O)N2CCCC(N)C2)c1.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-18-12-6-10(7-13(8-12)19-2)14(17)16-5-3-4-11(15)9-16;/h6-8,11H,3-5,9,15H2,1-2H3;1H
InChIKeyVDJRGSQAPYHECK-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.69
Rot. Bonds3

About (3-aminopiperidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride

(3-aminopiperidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride (PubChem CID 119377142) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride
PubChem CID119377142
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name(3-aminopiperidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride
SMILESCOc1cc(OC)cc(C(=O)N2CCCC(N)C2)c1.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-18-12-6-10(7-13(8-12)19-2)14(17)16-5-3-4-11(15)9-16;/h6-8,11H,3-5,9,15H2,1-2H3;1H
InChIKeyVDJRGSQAPYHECK-UHFFFAOYSA-N
XLogP1.69
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-aminopiperidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride 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-aminopyrrolidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119482519
[3-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119592720
(3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 858669
methyl 3-(3-aminopiperidine-1-carbonyl)-5-hydroxybenzoate;hydrochloride
CID 154907673
1-(3-aminopiperidin-1-yl)-3-(3,5-dimethoxyphenyl)propan-1-one;hydrochloride
CID 119378404
(3,5-dimethoxyphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413635
(3-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone;hydrochloride
CID 119378962
(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443
methyl 3-(3-aminopiperidine-1-carbonyl)benzoate
CID 176515174
[(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493895
[(3R)-3-aminopiperidin-1-yl]-(3-bromo-4-ethoxy-5-methoxyphenyl)methanone
CID 124623012
(3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
CID 75526663

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride (CID 119377142) is (3-aminopiperidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride is COc1cc(OC)cc(C(=O)N2CCCC(N)C2)c1.Cl.
What is the InChIKey of (3-aminopiperidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride?
The InChIKey is VDJRGSQAPYHECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3.ClH/c1-18-12-6-10(7-13(8-12)19-2)14(17)16-5-3-4-11(15)9-16;/h6-8,11H,3-5,9,15H2,1-2H3;1H.
What are the key properties of (3-aminopiperidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride?
(3-aminopiperidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 119377142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).