methane;5-(4-methoxyphenyl)piperidine-3-carboxylic acid

C14H21NO3 — CID 159331241

IUPACmethane;5-(4-methoxyphenyl)piperidine-3-carboxylic acid
SMILESC.COc1ccc(C2CNCC(C(=O)O)C2)cc1
InChIInChI=1S/C13H17NO3.CH4/c1-17-12-4-2-9(3-5-12)10-6-11(13(15)16)8-14-7-10;/h2-5,10-11,14H,6-8H2,1H3,(H,15,16);1H4
InChIKeyLEZNYEFDVZLGOX-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.11
Rot. Bonds3

About methane;5-(4-methoxyphenyl)piperidine-3-carboxylic acid

methane;5-(4-methoxyphenyl)piperidine-3-carboxylic acid (PubChem CID 159331241) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methane;5-(4-methoxyphenyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Namemethane;5-(4-methoxyphenyl)piperidine-3-carboxylic acid
PubChem CID159331241
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethane;5-(4-methoxyphenyl)piperidine-3-carboxylic acid
SMILESC.COc1ccc(C2CNCC(C(=O)O)C2)cc1
InChIInChI=1S/C13H17NO3.CH4/c1-17-12-4-2-9(3-5-12)10-6-11(13(15)16)8-14-7-10;/h2-5,10-11,14H,6-8H2,1H3,(H,15,16);1H4
InChIKeyLEZNYEFDVZLGOX-UHFFFAOYSA-N
XLogP2.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 67514282
(3S,5R)-5-phenylpiperidine-3-carboxylic acid
CID 96581531
5-(4-methoxyphenyl)piperidin-3-ol
CID 142686549
methyl 5-phenylpiperidine-3-carboxylate;hydrochloride
CID 91798805
(3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 7145970
methyl 5-(3,5-dimethoxyphenyl)piperidine-3-carboxylate;hydrochloride
CID 91798796
(3R,5R)-N,N-dimethyl-5-phenylpiperidine-3-carboxamide
CID 178194057
methyl (3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]piperidine-3-carboxylate
CID 155905301
3-(4-methoxyphenyl)piperidine
CID 12937920
(2R,4R)-4-(4-methoxyphenyl)-2-methylpyrrolidine
CID 95240960
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
4-(4-methoxyphenyl)-1,2-oxazolidine
CID 105438001

Frequently Asked Questions

What is the IUPAC name of methane;5-(4-methoxyphenyl)piperidine-3-carboxylic acid?
The IUPAC name of methane;5-(4-methoxyphenyl)piperidine-3-carboxylic acid (CID 159331241) is methane;5-(4-methoxyphenyl)piperidine-3-carboxylic acid.
What is the SMILES notation for methane;5-(4-methoxyphenyl)piperidine-3-carboxylic acid?
The canonical SMILES for methane;5-(4-methoxyphenyl)piperidine-3-carboxylic acid is C.COc1ccc(C2CNCC(C(=O)O)C2)cc1.
What is the InChIKey of methane;5-(4-methoxyphenyl)piperidine-3-carboxylic acid?
The InChIKey is LEZNYEFDVZLGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3.CH4/c1-17-12-4-2-9(3-5-12)10-6-11(13(15)16)8-14-7-10;/h2-5,10-11,14H,6-8H2,1H3,(H,15,16);1H4.
What are the key properties of methane;5-(4-methoxyphenyl)piperidine-3-carboxylic acid?
methane;5-(4-methoxyphenyl)piperidine-3-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-(4-methoxyphenyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 159331241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).