methyl 1-[(4-methylphenyl)methyl]piperidine-4-carboxylate

C15H21NO2 — CID 1475086

IUPACmethyl 1-[(4-methylphenyl)methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2ccc(C)cc2)CC1
InChIInChI=1S/C15H21NO2/c1-12-3-5-13(6-4-12)11-16-9-7-14(8-10-16)15(17)18-2/h3-6,14H,7-11H2,1-2H3
InChIKeyTVVZEZHHMNLUML-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.38
Rot. Bonds3

About methyl 1-[(4-methylphenyl)methyl]piperidine-4-carboxylate

methyl 1-[(4-methylphenyl)methyl]piperidine-4-carboxylate (PubChem CID 1475086) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 1-[(4-methylphenyl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-methylphenyl)methyl]piperidine-4-carboxylate
PubChem CID1475086
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 1-[(4-methylphenyl)methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2ccc(C)cc2)CC1
InChIInChI=1S/C15H21NO2/c1-12-3-5-13(6-4-12)11-16-9-7-14(8-10-16)15(17)18-2/h3-6,14H,7-11H2,1-2H3
InChIKeyTVVZEZHHMNLUML-UHFFFAOYSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-methylphenyl)methyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(4-methylphenyl)methyl]piperidine-4-carboxylate (CID 1475086) is methyl 1-[(4-methylphenyl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(4-methylphenyl)methyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(4-methylphenyl)methyl]piperidine-4-carboxylate is COC(=O)C1CCN(Cc2ccc(C)cc2)CC1.
What is the InChIKey of methyl 1-[(4-methylphenyl)methyl]piperidine-4-carboxylate?
The InChIKey is TVVZEZHHMNLUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-3-5-13(6-4-12)11-16-9-7-14(8-10-16)15(17)18-2/h3-6,14H,7-11H2,1-2H3.
What are the key properties of methyl 1-[(4-methylphenyl)methyl]piperidine-4-carboxylate?
methyl 1-[(4-methylphenyl)methyl]piperidine-4-carboxylate has a molecular weight of 247.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-methylphenyl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 1475086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).