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

C14H19NO3 — CID 99942545

IUPACmethyl (3R,4R)-3-(3-methoxyphenyl)piperidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CCNC[C@H]1c1cccc(OC)c1
InChIInChI=1S/C14H19NO3/c1-17-11-5-3-4-10(8-11)13-9-15-7-6-12(13)14(16)18-2/h3-5,8,12-13,15H,6-7,9H2,1-2H3/t12-,13+/m1/s1
InChIKeySDXCPFFWVANAKU-OLZOCXBDSA-N
MW249.31 g/mol
LogP1.56
Rot. Bonds3

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

methyl (3R,4R)-3-(3-methoxyphenyl)piperidine-4-carboxylate (PubChem CID 99942545) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl (3R,4R)-3-(3-methoxyphenyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (3R,4R)-3-(3-methoxyphenyl)piperidine-4-carboxylate
PubChem CID99942545
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl (3R,4R)-3-(3-methoxyphenyl)piperidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CCNC[C@H]1c1cccc(OC)c1
InChIInChI=1S/C14H19NO3/c1-17-11-5-3-4-10(8-11)13-9-15-7-6-12(13)14(16)18-2/h3-5,8,12-13,15H,6-7,9H2,1-2H3/t12-,13+/m1/s1
InChIKeySDXCPFFWVANAKU-OLZOCXBDSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(3-methoxyphenyl)piperidine-3-carboxylate;hydrochloride
CID 91798826
3-(3-methoxyphenyl)piperidin-4-amine
CID 82610675
(3S,4R)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2762171
4-(3-methoxyphenyl)-3-(4-methylphenyl)piperidine
CID 79432555
3-(3-chlorophenyl)-4-(3-methoxyphenyl)piperidine
CID 79430329
methyl (3S,4S)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylate
CID 129463071
methyl (3R,4S)-4-(3-methylphenyl)pyrrolidine-3-carboxylate
CID 53484902
methyl (4S)-4-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxylate
CID 134409869
methyl 3-(2-methylphenyl)piperidine-4-carboxylate;hydrochloride
CID 91798782
1-[(3R,4S)-3-(3-hydroxyphenyl)piperidin-4-yl]ethanone
CID 58977830
methyl (3R,5R)-5-(3-methoxyphenyl)piperidine-3-carboxylate
CID 99942655
methyl (2R,4R)-4-(3-methoxyphenyl)piperidine-2-carboxylate
CID 96530313

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4R)-3-(3-methoxyphenyl)piperidine-4-carboxylate?
The IUPAC name of methyl (3R,4R)-3-(3-methoxyphenyl)piperidine-4-carboxylate (CID 99942545) is methyl (3R,4R)-3-(3-methoxyphenyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl (3R,4R)-3-(3-methoxyphenyl)piperidine-4-carboxylate?
The canonical SMILES for methyl (3R,4R)-3-(3-methoxyphenyl)piperidine-4-carboxylate is COC(=O)[C@@H]1CCNC[C@H]1c1cccc(OC)c1.
What is the InChIKey of methyl (3R,4R)-3-(3-methoxyphenyl)piperidine-4-carboxylate?
The InChIKey is SDXCPFFWVANAKU-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-11-5-3-4-10(8-11)13-9-15-7-6-12(13)14(16)18-2/h3-5,8,12-13,15H,6-7,9H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of methyl (3R,4R)-3-(3-methoxyphenyl)piperidine-4-carboxylate?
methyl (3R,4R)-3-(3-methoxyphenyl)piperidine-4-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4R)-3-(3-methoxyphenyl)piperidine-4-carboxylate is sourced from PubChem (CID 99942545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).