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

C14H19NO3 — CID 79034994

IUPAC(3-methoxyphenyl)methyl (2R)-piperidine-2-carboxylate
SMILESCOc1cccc(COC(=O)[C@H]2CCCCN2)c1
InChIInChI=1S/C14H19NO3/c1-17-12-6-4-5-11(9-12)10-18-14(16)13-7-2-3-8-15-13/h4-6,9,13,15H,2-3,7-8,10H2,1H3/t13-/m1/s1
InChIKeyIGUKGMHLNMRBOF-CYBMUJFWSA-N
MW249.31 g/mol
LogP1.88
Rot. Bonds4

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

(3-methoxyphenyl)methyl (2R)-piperidine-2-carboxylate (PubChem CID 79034994) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl (2R)-piperidine-2-carboxylate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl (2R)-piperidine-2-carboxylate
PubChem CID79034994
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(3-methoxyphenyl)methyl (2R)-piperidine-2-carboxylate
SMILESCOc1cccc(COC(=O)[C@H]2CCCCN2)c1
InChIInChI=1S/C14H19NO3/c1-17-12-6-4-5-11(9-12)10-18-14(16)13-7-2-3-8-15-13/h4-6,9,13,15H,2-3,7-8,10H2,1H3/t13-/m1/s1
InChIKeyIGUKGMHLNMRBOF-CYBMUJFWSA-N
XLogP1.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-2-yl)-2-(3-methoxyphenyl)ethanone
CID 116582555
(3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone
CID 95442884
(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50944119
N-[3-(3-methoxyphenyl)propyl]piperidine-2-carboxamide;hydrochloride
CID 119316858
(3,4,5-trimethoxyphenyl)methyl pyrrolidine-2-carboxylate
CID 140666594
(3-methoxyphenyl)methyl 2,2-dichlorocyclopropane-1-carboxylate
CID 78790601
(3-methoxyphenyl)methyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79525224
2-aminopropanoic acid;benzyl pyrrolidine-2-carboxylate
CID 19802280
(2R)-N-(3-methoxyphenyl)azepane-2-carboxamide
CID 124509646
(3-methoxyphenyl)methyl (3S,4S)-4-methylpyrrolidine-3-carboxylate
CID 98541212
(4-fluorophenyl)methyl (2S)-pyrrolidine-2-carboxylate
CID 94259086
2-phenoxyethyl (2R)-piperidine-2-carboxylate
CID 79034822

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl (2R)-piperidine-2-carboxylate?
The IUPAC name of (3-methoxyphenyl)methyl (2R)-piperidine-2-carboxylate (CID 79034994) is (3-methoxyphenyl)methyl (2R)-piperidine-2-carboxylate.
What is the SMILES notation for (3-methoxyphenyl)methyl (2R)-piperidine-2-carboxylate?
The canonical SMILES for (3-methoxyphenyl)methyl (2R)-piperidine-2-carboxylate is COc1cccc(COC(=O)[C@H]2CCCCN2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl (2R)-piperidine-2-carboxylate?
The InChIKey is IGUKGMHLNMRBOF-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-12-6-4-5-11(9-12)10-18-14(16)13-7-2-3-8-15-13/h4-6,9,13,15H,2-3,7-8,10H2,1H3/t13-/m1/s1.
What are the key properties of (3-methoxyphenyl)methyl (2R)-piperidine-2-carboxylate?
(3-methoxyphenyl)methyl (2R)-piperidine-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl (2R)-piperidine-2-carboxylate is sourced from PubChem (CID 79034994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).