methyl 4-(3-methoxyphenyl)piperidine-3-carboxylate;hydrochloride

C14H20ClNO3 — CID 91798826

IUPACmethyl 4-(3-methoxyphenyl)piperidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CNCCC1c1cccc(OC)c1.Cl
InChIInChI=1S/C14H19NO3.ClH/c1-17-11-5-3-4-10(8-11)12-6-7-15-9-13(12)14(16)18-2;/h3-5,8,12-13,15H,6-7,9H2,1-2H3;1H
InChIKeyZUTZILWDTVDOCR-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.98
Rot. Bonds3

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

methyl 4-(3-methoxyphenyl)piperidine-3-carboxylate;hydrochloride (PubChem CID 91798826) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is methyl 4-(3-methoxyphenyl)piperidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-(3-methoxyphenyl)piperidine-3-carboxylate;hydrochloride
PubChem CID91798826
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Namemethyl 4-(3-methoxyphenyl)piperidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CNCCC1c1cccc(OC)c1.Cl
InChIInChI=1S/C14H19NO3.ClH/c1-17-11-5-3-4-10(8-11)12-6-7-15-9-13(12)14(16)18-2;/h3-5,8,12-13,15H,6-7,9H2,1-2H3;1H
InChIKeyZUTZILWDTVDOCR-UHFFFAOYSA-N
XLogP1.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R,4R)-3-(3-methoxyphenyl)piperidine-4-carboxylate
CID 99942545
3-(3-methoxyphenyl)piperidin-4-amine
CID 82610675
(3S,4R)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2762171
4-(3-methoxyphenyl)-3-(4-methylphenyl)piperidine
CID 79432555
3-(3-chlorophenyl)-4-(3-methoxyphenyl)piperidine
CID 79430329
methyl (3S,4S)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylate
CID 129463071
methyl (3R,4S)-4-(3-methylphenyl)pyrrolidine-3-carboxylate
CID 53484902
methyl (4S)-4-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate
CID 134409869
methyl (3R,5R)-5-(3-methoxyphenyl)piperidine-3-carboxylate
CID 99942655
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119700020
methyl (3S,4R)-4-hydroxypiperidine-3-carboxylate;hydrochloride
CID 154810489
ethyl (3S,4S)-4-(4-methoxyphenyl)piperidine-3-carboxylate
CID 118700652

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methoxyphenyl)piperidine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 4-(3-methoxyphenyl)piperidine-3-carboxylate;hydrochloride (CID 91798826) is methyl 4-(3-methoxyphenyl)piperidine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-(3-methoxyphenyl)piperidine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-(3-methoxyphenyl)piperidine-3-carboxylate;hydrochloride is COC(=O)C1CNCCC1c1cccc(OC)c1.Cl.
What is the InChIKey of methyl 4-(3-methoxyphenyl)piperidine-3-carboxylate;hydrochloride?
The InChIKey is ZUTZILWDTVDOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3.ClH/c1-17-11-5-3-4-10(8-11)12-6-7-15-9-13(12)14(16)18-2;/h3-5,8,12-13,15H,6-7,9H2,1-2H3;1H.
What are the key properties of methyl 4-(3-methoxyphenyl)piperidine-3-carboxylate;hydrochloride?
methyl 4-(3-methoxyphenyl)piperidine-3-carboxylate;hydrochloride has a molecular weight of 285.77 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-methoxyphenyl)piperidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 91798826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).