methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate

C15H21NO3 — CID 113219904

IUPACmethyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1Cc1ccc(OC)cc1
InChIInChI=1S/C15H21NO3/c1-18-13-8-6-12(7-9-13)11-16-10-4-3-5-14(16)15(17)19-2/h6-9,14H,3-5,10-11H2,1-2H3
InChIKeyOKHOBLYXCLQBIJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.22
Rot. Bonds4

About methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate

methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate (PubChem CID 113219904) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
PubChem CID113219904
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1Cc1ccc(OC)cc1
InChIInChI=1S/C15H21NO3/c1-18-13-8-6-12(7-9-13)11-16-10-4-3-5-14(16)15(17)19-2/h6-9,14H,3-5,10-11H2,1-2H3
InChIKeyOKHOBLYXCLQBIJ-UHFFFAOYSA-N
XLogP2.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate
CID 78992339
(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 7048458
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
(4-methoxyphenyl)methyl (2R)-1-benzylpyrrolidine-2-carboxylate
CID 97063553
methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate
CID 115371320
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl 1-[(4-bromophenyl)methyl]pyrrolidine-2-carboxylate
CID 62028427
methyl (2S)-1-benzylazetidine-2-carboxylate
CID 12727480
methyl (2R)-1-benzylazetidine-2-carboxylate
CID 10976617
methyl (2R,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 134263030
methyl 1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 55211640
methyl (2R)-2-[(2R)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-phenylacetate
CID 52942312

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate (CID 113219904) is methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1Cc1ccc(OC)cc1.
What is the InChIKey of methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate?
The InChIKey is OKHOBLYXCLQBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-13-8-6-12(7-9-13)11-16-10-4-3-5-14(16)15(17)19-2/h6-9,14H,3-5,10-11H2,1-2H3.
What are the key properties of methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate?
methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 113219904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).