methyl 6-(4-hydroxyphenyl)piperidine-3-carboxylate

C13H17NO3 — CID 117168120

IUPACmethyl 6-(4-hydroxyphenyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCC(c2ccc(O)cc2)NC1
InChIInChI=1S/C13H17NO3/c1-17-13(16)10-4-7-12(14-8-10)9-2-5-11(15)6-3-9/h2-3,5-6,10,12,14-15H,4,7-8H2,1H3
InChIKeyVKLHNZYGPCLNRP-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.61
Rot. Bonds2

About methyl 6-(4-hydroxyphenyl)piperidine-3-carboxylate

methyl 6-(4-hydroxyphenyl)piperidine-3-carboxylate (PubChem CID 117168120) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl 6-(4-hydroxyphenyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-hydroxyphenyl)piperidine-3-carboxylate
PubChem CID117168120
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl 6-(4-hydroxyphenyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCC(c2ccc(O)cc2)NC1
InChIInChI=1S/C13H17NO3/c1-17-13(16)10-4-7-12(14-8-10)9-2-5-11(15)6-3-9/h2-3,5-6,10,12,14-15H,4,7-8H2,1H3
InChIKeyVKLHNZYGPCLNRP-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

6-(4-hydroxyphenyl)piperidine-3-carboxylic acid
CID 117168119
methyl (3R,6S)-6-methylpiperidine-3-carboxylate
CID 59277634
methyl (3S,6R)-6-methylpiperidine-3-carboxylate;hydrochloride
CID 101043498
methyl 2-(4-hydroxyphenyl)piperidine-3-carboxylate
CID 105496106
methyl 6-cyclopropylpiperidine-3-carboxylate
CID 83915093
methyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate;hydrochloride
CID 119056927
acetic acid;methyl 6-methylpiperidine-3-carboxylate
CID 154942915
methyl (2S,4R)-2-phenylpiperidine-4-carboxylate
CID 51441743
methyl 4-phenylimidazolidine-2-carboxylate
CID 121274928
methyl 5-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxylate
CID 112546548
4-piperidin-2-ylphenol
CID 19711202
4-O-[4-[4-[4-(4-methoxycarbonylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-methyl cyclohexane-1,4-dicarboxylate
CID 168764542

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-hydroxyphenyl)piperidine-3-carboxylate?
The IUPAC name of methyl 6-(4-hydroxyphenyl)piperidine-3-carboxylate (CID 117168120) is methyl 6-(4-hydroxyphenyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 6-(4-hydroxyphenyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 6-(4-hydroxyphenyl)piperidine-3-carboxylate is COC(=O)C1CCC(c2ccc(O)cc2)NC1.
What is the InChIKey of methyl 6-(4-hydroxyphenyl)piperidine-3-carboxylate?
The InChIKey is VKLHNZYGPCLNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-17-13(16)10-4-7-12(14-8-10)9-2-5-11(15)6-3-9/h2-3,5-6,10,12,14-15H,4,7-8H2,1H3.
What are the key properties of methyl 6-(4-hydroxyphenyl)piperidine-3-carboxylate?
methyl 6-(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 6-(4-hydroxyphenyl)piperidine-3-carboxylate is sourced from PubChem (CID 117168120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).