methyl 3-(2-methylphenyl)piperidine-4-carboxylate;hydrochloride

C14H20ClNO2 — CID 91798782

IUPACmethyl 3-(2-methylphenyl)piperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1CCNCC1c1ccccc1C.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-10-5-3-4-6-11(10)13-9-15-8-7-12(13)14(16)17-2;/h3-6,12-13,15H,7-9H2,1-2H3;1H
InChIKeyURJDTWLZFJUJQG-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.28
Rot. Bonds2

About methyl 3-(2-methylphenyl)piperidine-4-carboxylate;hydrochloride

methyl 3-(2-methylphenyl)piperidine-4-carboxylate;hydrochloride (PubChem CID 91798782) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is methyl 3-(2-methylphenyl)piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(2-methylphenyl)piperidine-4-carboxylate;hydrochloride
PubChem CID91798782
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Namemethyl 3-(2-methylphenyl)piperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1CCNCC1c1ccccc1C.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-10-5-3-4-6-11(10)13-9-15-8-7-12(13)14(16)17-2;/h3-6,12-13,15H,7-9H2,1-2H3;1H
InChIKeyURJDTWLZFJUJQG-UHFFFAOYSA-N
XLogP2.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylphenyl)piperidin-4-ol
CID 117168026
(3R,4S)-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 56972027
2-(2-methylphenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119453095
4-(2-methylphenyl)piperidine-3-carboxylate
CID 23157120
methyl (3R,4R)-3-(3-methoxyphenyl)piperidine-4-carboxylate
CID 99942545
methyl (3R,4R)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylate
CID 51441231
methyl (3R,4S)-1-methyl-4-(2-methylphenyl)piperidine-3-carboxylate
CID 143099801
methyl (3S,4R)-4-hydroxypiperidine-3-carboxylate;hydrochloride
CID 154810489
methyl 3-fluoropiperidine-4-carboxylate;hydrochloride
CID 84720949
methyl 4-methylpiperidine-3-carboxylate
CID 45043143
methyl (3S,4R)-1-benzyl-4-(2-methylphenyl)pyrrolidine-3-carboxylate
CID 59563644
[2-methyl-1-(phenylmethoxycarbonylamino)propan-2-yl] (3R,4R)-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxylate
CID 69359136

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methylphenyl)piperidine-4-carboxylate;hydrochloride?
The IUPAC name of methyl 3-(2-methylphenyl)piperidine-4-carboxylate;hydrochloride (CID 91798782) is methyl 3-(2-methylphenyl)piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3-(2-methylphenyl)piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 3-(2-methylphenyl)piperidine-4-carboxylate;hydrochloride is COC(=O)C1CCNCC1c1ccccc1C.Cl.
What is the InChIKey of methyl 3-(2-methylphenyl)piperidine-4-carboxylate;hydrochloride?
The InChIKey is URJDTWLZFJUJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c1-10-5-3-4-6-11(10)13-9-15-8-7-12(13)14(16)17-2;/h3-6,12-13,15H,7-9H2,1-2H3;1H.
What are the key properties of methyl 3-(2-methylphenyl)piperidine-4-carboxylate;hydrochloride?
methyl 3-(2-methylphenyl)piperidine-4-carboxylate;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methylphenyl)piperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 91798782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).