methyl (2R,4R)-4-(3-methoxyphenyl)piperidine-2-carboxylate

C14H19NO3 — CID 96530313

IUPACmethyl (2R,4R)-4-(3-methoxyphenyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@H](c2cccc(OC)c2)CCN1
InChIInChI=1S/C14H19NO3/c1-17-12-5-3-4-10(8-12)11-6-7-15-13(9-11)14(16)18-2/h3-5,8,11,13,15H,6-7,9H2,1-2H3/t11-,13-/m1/s1
InChIKeyJVPUBJNOZTVFTR-DGCLKSJQSA-N
MW249.31 g/mol
LogP1.70
Rot. Bonds3

About methyl (2R,4R)-4-(3-methoxyphenyl)piperidine-2-carboxylate

methyl (2R,4R)-4-(3-methoxyphenyl)piperidine-2-carboxylate (PubChem CID 96530313) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl (2R,4R)-4-(3-methoxyphenyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4R)-4-(3-methoxyphenyl)piperidine-2-carboxylate
PubChem CID96530313
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl (2R,4R)-4-(3-methoxyphenyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@H](c2cccc(OC)c2)CCN1
InChIInChI=1S/C14H19NO3/c1-17-12-5-3-4-10(8-12)11-6-7-15-13(9-11)14(16)18-2/h3-5,8,11,13,15H,6-7,9H2,1-2H3/t11-,13-/m1/s1
InChIKeyJVPUBJNOZTVFTR-DGCLKSJQSA-N
XLogP1.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R,5R)-5-(3-methoxyphenyl)piperidine-3-carboxylate
CID 99942655
methyl (2S,4R)-4-(2-methoxyphenyl)piperidine-2-carboxylate
CID 96530315
methyl (2S,4R)-4-phenylpyrrolidine-2-carboxylate
CID 14102971
methyl (2S,4S)-4-phenylpyrrolidine-2-carboxylate
CID 92978343
methyl 5-(3-methoxyphenyl)thiomorpholine-3-carboxylate
CID 65171376
methyl 4-(furan-2-yl)piperidine-2-carboxylate
CID 117258292
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
tert-butyl (2S,3R)-2-(3-methoxyphenyl)pyrrolidine-3-carboxylate
CID 178194365
methyl (3R,4R)-3-(3-methoxyphenyl)piperidine-4-carboxylate
CID 99942545
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
methyl 4-(3-methoxyphenyl)piperidine-3-carboxylate;hydrochloride
CID 91798826
[4-(3-methoxyphenyl)cyclohexyl]carbamic acid
CID 69226808

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R)-4-(3-methoxyphenyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R,4R)-4-(3-methoxyphenyl)piperidine-2-carboxylate (CID 96530313) is methyl (2R,4R)-4-(3-methoxyphenyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R,4R)-4-(3-methoxyphenyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R,4R)-4-(3-methoxyphenyl)piperidine-2-carboxylate is COC(=O)[C@H]1C[C@H](c2cccc(OC)c2)CCN1.
What is the InChIKey of methyl (2R,4R)-4-(3-methoxyphenyl)piperidine-2-carboxylate?
The InChIKey is JVPUBJNOZTVFTR-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-12-5-3-4-10(8-12)11-6-7-15-13(9-11)14(16)18-2/h3-5,8,11,13,15H,6-7,9H2,1-2H3/t11-,13-/m1/s1.
What are the key properties of methyl (2R,4R)-4-(3-methoxyphenyl)piperidine-2-carboxylate?
methyl (2R,4R)-4-(3-methoxyphenyl)piperidine-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4R)-4-(3-methoxyphenyl)piperidine-2-carboxylate is sourced from PubChem (CID 96530313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).