methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride

C15H22ClNO3 — CID 14181476

IUPACmethyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CCCN(Cc2ccc(OC)cc2)C1.Cl
InChIInChI=1S/C15H21NO3.ClH/c1-18-14-7-5-12(6-8-14)10-16-9-3-4-13(11-16)15(17)19-2;/h5-8,13H,3-4,9-11H2,1-2H3;1H
InChIKeyJMGBPSBIQDHRNU-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.50
Rot. Bonds4

About methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride

methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride (PubChem CID 14181476) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride
PubChem CID14181476
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Namemethyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CCCN(Cc2ccc(OC)cc2)C1.Cl
InChIInChI=1S/C15H21NO3.ClH/c1-18-14-7-5-12(6-8-14)10-16-9-3-4-13(11-16)15(17)19-2;/h5-8,13H,3-4,9-11H2,1-2H3;1H
InChIKeyJMGBPSBIQDHRNU-UHFFFAOYSA-N
XLogP2.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[[4-(aminomethyl)phenyl]methyl]piperidine-3-carboxylate
CID 115533762
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid
CID 662630
1-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]butan-1-one
CID 59730198
methyl 1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 78920357
(4,4-difluoropiperidin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 163357915
methyl 1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine-3-carboxylate
CID 78966837
methyl 1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidine-3-carboxylate
CID 112631199
methyl 1-[(4-ethylphenyl)methyl]pyrrolidine-3-carboxylate
CID 78992354
methyl 1-[(4-bromophenyl)methyl]pyrrolidine-3-carboxylate
CID 112730681
1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 133159211
(3R)-1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 100777734
(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride (CID 14181476) is methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride is COC(=O)C1CCCN(Cc2ccc(OC)cc2)C1.Cl.
What is the InChIKey of methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride?
The InChIKey is JMGBPSBIQDHRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3.ClH/c1-18-14-7-5-12(6-8-14)10-16-9-3-4-13(11-16)15(17)19-2;/h5-8,13H,3-4,9-11H2,1-2H3;1H.
What are the key properties of methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride?
methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 14181476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).