methyl 5-(3,5-dimethoxyphenyl)piperidine-3-carboxylate;hydrochloride

C15H22ClNO4 — CID 91798796

IUPACmethyl 5-(3,5-dimethoxyphenyl)piperidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CNCC(c2cc(OC)cc(OC)c2)C1.Cl
InChIInChI=1S/C15H21NO4.ClH/c1-18-13-5-10(6-14(7-13)19-2)11-4-12(9-16-8-11)15(17)20-3;/h5-7,11-12,16H,4,8-9H2,1-3H3;1H
InChIKeyTZUIBJIOUMTKLJ-UHFFFAOYSA-N
MW315.80 g/mol
LogP1.99
Rot. Bonds4

About methyl 5-(3,5-dimethoxyphenyl)piperidine-3-carboxylate;hydrochloride

methyl 5-(3,5-dimethoxyphenyl)piperidine-3-carboxylate;hydrochloride (PubChem CID 91798796) has the molecular formula C15H22ClNO4 and a molecular weight of 315.80 g/mol. Its IUPAC name is methyl 5-(3,5-dimethoxyphenyl)piperidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-(3,5-dimethoxyphenyl)piperidine-3-carboxylate;hydrochloride
PubChem CID91798796
Molecular FormulaC15H22ClNO4
Molecular Weight315.80 g/mol
Exact Mass315.12
IUPAC Namemethyl 5-(3,5-dimethoxyphenyl)piperidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CNCC(c2cc(OC)cc(OC)c2)C1.Cl
InChIInChI=1S/C15H21NO4.ClH/c1-18-13-5-10(6-14(7-13)19-2)11-4-12(9-16-8-11)15(17)20-3;/h5-7,11-12,16H,4,8-9H2,1-3H3;1H
InChIKeyTZUIBJIOUMTKLJ-UHFFFAOYSA-N
XLogP1.99
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(3,5-dimethoxyphenyl)piperidine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 5-(3,5-dimethoxyphenyl)piperidine-3-carboxylate;hydrochloride (CID 91798796) is methyl 5-(3,5-dimethoxyphenyl)piperidine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-(3,5-dimethoxyphenyl)piperidine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-(3,5-dimethoxyphenyl)piperidine-3-carboxylate;hydrochloride is COC(=O)C1CNCC(c2cc(OC)cc(OC)c2)C1.Cl.
What is the InChIKey of methyl 5-(3,5-dimethoxyphenyl)piperidine-3-carboxylate;hydrochloride?
The InChIKey is TZUIBJIOUMTKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4.ClH/c1-18-13-5-10(6-14(7-13)19-2)11-4-12(9-16-8-11)15(17)20-3;/h5-7,11-12,16H,4,8-9H2,1-3H3;1H.
What are the key properties of methyl 5-(3,5-dimethoxyphenyl)piperidine-3-carboxylate;hydrochloride?
methyl 5-(3,5-dimethoxyphenyl)piperidine-3-carboxylate;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3,5-dimethoxyphenyl)piperidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 91798796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).