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

C14H19NO3 — CID 96530315

IUPACmethyl (2S,4R)-4-(2-methoxyphenyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H](c2ccccc2OC)CCN1
InChIInChI=1S/C14H19NO3/c1-17-13-6-4-3-5-11(13)10-7-8-15-12(9-10)14(16)18-2/h3-6,10,12,15H,7-9H2,1-2H3/t10-,12+/m1/s1
InChIKeyFSCVLNFCDAEEKD-PWSUYJOCSA-N
MW249.31 g/mol
LogP1.70
Rot. Bonds3

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

methyl (2S,4R)-4-(2-methoxyphenyl)piperidine-2-carboxylate (PubChem CID 96530315) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl (2S,4R)-4-(2-methoxyphenyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-4-(2-methoxyphenyl)piperidine-2-carboxylate
PubChem CID96530315
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl (2S,4R)-4-(2-methoxyphenyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H](c2ccccc2OC)CCN1
InChIInChI=1S/C14H19NO3/c1-17-13-6-4-3-5-11(13)10-7-8-15-12(9-10)14(16)18-2/h3-6,10,12,15H,7-9H2,1-2H3/t10-,12+/m1/s1
InChIKeyFSCVLNFCDAEEKD-PWSUYJOCSA-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

4-(2,3-dimethoxyphenyl)-N-ethylpiperidine-2-carboxamide
CID 82784754
methyl (2R,4R)-4-(3-methoxyphenyl)piperidine-2-carboxylate
CID 96530313
methyl 4-(furan-2-yl)piperidine-2-carboxylate
CID 117258292
3-[4-(2-methoxyphenyl)piperidin-2-yl]-2-phenylpropanoic acid
CID 67745838
methyl (3R,5R)-5-(2-methoxyphenyl)piperidine-3-carboxylate
CID 99942730
methyl (3S,5S)-5-(2-methoxyphenyl)piperidine-3-carboxylate
CID 99942732
4-(2-methoxyphenyl)piperidine
CID 544738
methyl (2S,4R)-4-phenylpyrrolidine-2-carboxylate
CID 14102971
methyl (2S,4S)-4-phenylpyrrolidine-2-carboxylate
CID 92978343
(2R)-2-(2-methoxyphenyl)azetidine
CID 92670019
methyl 7-(2-methoxyphenyl)-2,5-dioxo-1,3,4,4a,6,7,8,8a-octahydroquinoline-3-carboxylate
CID 73358168
3-(2-methoxyphenyl)cyclopentan-1-ol
CID 64516267

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-4-(2-methoxyphenyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2S,4R)-4-(2-methoxyphenyl)piperidine-2-carboxylate (CID 96530315) is methyl (2S,4R)-4-(2-methoxyphenyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4R)-4-(2-methoxyphenyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2S,4R)-4-(2-methoxyphenyl)piperidine-2-carboxylate is COC(=O)[C@@H]1C[C@H](c2ccccc2OC)CCN1.
What is the InChIKey of methyl (2S,4R)-4-(2-methoxyphenyl)piperidine-2-carboxylate?
The InChIKey is FSCVLNFCDAEEKD-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-13-6-4-3-5-11(13)10-7-8-15-12(9-10)14(16)18-2/h3-6,10,12,15H,7-9H2,1-2H3/t10-,12+/m1/s1.
What are the key properties of methyl (2S,4R)-4-(2-methoxyphenyl)piperidine-2-carboxylate?
methyl (2S,4R)-4-(2-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 (2S,4R)-4-(2-methoxyphenyl)piperidine-2-carboxylate is sourced from PubChem (CID 96530315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).