(1-methylpiperidin-4-yl) 3,4-dimethoxybenzoate;hydrochloride

C15H22ClNO4 — CID 2948697

IUPAC(1-methylpiperidin-4-yl) 3,4-dimethoxybenzoate;hydrochloride
SMILESCOc1ccc(C(=O)OC2CCN(C)CC2)cc1OC.Cl
InChIInChI=1S/C15H21NO4.ClH/c1-16-8-6-12(7-9-16)20-15(17)11-4-5-13(18-2)14(10-11)19-3;/h4-5,10,12H,6-9H2,1-3H3;1H
InChIKeyBQDLJZAJUUZAQR-UHFFFAOYSA-N
MW315.80 g/mol
LogP2.38
Rot. Bonds4

About (1-methylpiperidin-4-yl) 3,4-dimethoxybenzoate;hydrochloride

(1-methylpiperidin-4-yl) 3,4-dimethoxybenzoate;hydrochloride (PubChem CID 2948697) has the molecular formula C15H22ClNO4 and a molecular weight of 315.80 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 3,4-dimethoxybenzoate;hydrochloride.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 3,4-dimethoxybenzoate;hydrochloride
PubChem CID2948697
Molecular FormulaC15H22ClNO4
Molecular Weight315.80 g/mol
Exact Mass315.12
IUPAC Name(1-methylpiperidin-4-yl) 3,4-dimethoxybenzoate;hydrochloride
SMILESCOc1ccc(C(=O)OC2CCN(C)CC2)cc1OC.Cl
InChIInChI=1S/C15H21NO4.ClH/c1-16-8-6-12(7-9-16)20-15(17)11-4-5-13(18-2)14(10-11)19-3;/h4-5,10,12H,6-9H2,1-3H3;1H
InChIKeyBQDLJZAJUUZAQR-UHFFFAOYSA-N
XLogP2.38
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-methylpiperidin-4-yl) 3,4-dimethoxybenzoate;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

(1-methylpiperidin-4-yl) 4-amino-3-methoxybenzoate
CID 104783906
[(3S)-1-methylpiperidin-3-yl] 3,4-dimethoxybenzoate
CID 905590
[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,4-dimethoxybenzoate
CID 154722896
[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3,4-dimethoxybenzoate;hydrochloride
CID 170900899
2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-2-oxoacetic acid
CID 117473278
(1-methylpiperidin-4-yl) 3-fluorobenzoate;hydrochloride
CID 2942243
(1-methylpiperidin-4-yl) 3-methyl-4-propan-2-ylbenzoate
CID 130399843
[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl] benzoate;hydrochloride
CID 3077580
(1-methylpiperidin-4-yl) 3-methylbenzoate chloride
CID 53347537
(1-methylpiperidin-1-ium-3-yl) 3,4-dimethoxybenzoate
CID 5114137
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110737599

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 3,4-dimethoxybenzoate;hydrochloride?
The IUPAC name of (1-methylpiperidin-4-yl) 3,4-dimethoxybenzoate;hydrochloride (CID 2948697) is (1-methylpiperidin-4-yl) 3,4-dimethoxybenzoate;hydrochloride.
What is the SMILES notation for (1-methylpiperidin-4-yl) 3,4-dimethoxybenzoate;hydrochloride?
The canonical SMILES for (1-methylpiperidin-4-yl) 3,4-dimethoxybenzoate;hydrochloride is COc1ccc(C(=O)OC2CCN(C)CC2)cc1OC.Cl.
What is the InChIKey of (1-methylpiperidin-4-yl) 3,4-dimethoxybenzoate;hydrochloride?
The InChIKey is BQDLJZAJUUZAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4.ClH/c1-16-8-6-12(7-9-16)20-15(17)11-4-5-13(18-2)14(10-11)19-3;/h4-5,10,12H,6-9H2,1-3H3;1H.
What are the key properties of (1-methylpiperidin-4-yl) 3,4-dimethoxybenzoate;hydrochloride?
(1-methylpiperidin-4-yl) 3,4-dimethoxybenzoate;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 3,4-dimethoxybenzoate;hydrochloride is sourced from PubChem (CID 2948697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).