methyl 2-(4-hydroxyphenyl)piperidine-3-carboxylate

C13H17NO3 — CID 105496106

IUPACmethyl 2-(4-hydroxyphenyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCNC1c1ccc(O)cc1
InChIInChI=1S/C13H17NO3/c1-17-13(16)11-3-2-8-14-12(11)9-4-6-10(15)7-5-9/h4-7,11-12,14-15H,2-3,8H2,1H3
InChIKeyLCXHNWYJPPXGIT-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.61
Rot. Bonds2

About methyl 2-(4-hydroxyphenyl)piperidine-3-carboxylate

methyl 2-(4-hydroxyphenyl)piperidine-3-carboxylate (PubChem CID 105496106) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl 2-(4-hydroxyphenyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxyphenyl)piperidine-3-carboxylate
PubChem CID105496106
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl 2-(4-hydroxyphenyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCNC1c1ccc(O)cc1
InChIInChI=1S/C13H17NO3/c1-17-13(16)11-3-2-8-14-12(11)9-4-6-10(15)7-5-9/h4-7,11-12,14-15H,2-3,8H2,1H3
InChIKeyLCXHNWYJPPXGIT-UHFFFAOYSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,3R)-2-(4-chlorophenyl)pyrrolidine-3-carboxylate
CID 11207186
methyl 2-phenylpyrrolidine-3-carboxylate
CID 12955149
methyl (2S,3R)-2-(4-nitrophenyl)pyrrolidine-3-carboxylate
CID 11482085
methyl (2R,3R)-2-(3,4-dichlorophenyl)pyrrolidine-3-carboxylate
CID 51432981
ethyl (2R,3S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]piperidine-3-carboxylate;ethyl (2S,3R)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]piperidine-3-carboxylate
CID 154809531
methyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate;hydrochloride
CID 119056927
methyl 6-(4-hydroxyphenyl)piperidine-3-carboxylate
CID 117168120
dimethyl (2S,3R,4S,5R)-2-(4-hydroxyphenyl)-5-phenylpyrrolidine-3,4-dicarboxylate
CID 101222066
methyl (3S)-2-(2,6-dichlorophenyl)pyrrolidine-3-carboxylate
CID 17389578
methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-5-carboxylate
CID 12741296
ethyl 2-(3-fluorophenyl)piperidine-3-carboxylate
CID 83855538
methyl (2S,3R,5S)-2-(3,4-dimethoxyphenyl)-5-methylpiperidine-3-carboxylate
CID 10957323

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxyphenyl)piperidine-3-carboxylate?
The IUPAC name of methyl 2-(4-hydroxyphenyl)piperidine-3-carboxylate (CID 105496106) is methyl 2-(4-hydroxyphenyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 2-(4-hydroxyphenyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 2-(4-hydroxyphenyl)piperidine-3-carboxylate is COC(=O)C1CCCNC1c1ccc(O)cc1.
What is the InChIKey of methyl 2-(4-hydroxyphenyl)piperidine-3-carboxylate?
The InChIKey is LCXHNWYJPPXGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-17-13(16)11-3-2-8-14-12(11)9-4-6-10(15)7-5-9/h4-7,11-12,14-15H,2-3,8H2,1H3.
What are the key properties of methyl 2-(4-hydroxyphenyl)piperidine-3-carboxylate?
methyl 2-(4-hydroxyphenyl)piperidine-3-carboxylate has a molecular weight of 235.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxyphenyl)piperidine-3-carboxylate is sourced from PubChem (CID 105496106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).