methyl 3-methyl-4-(4-methylanilino)piperidine-4-carboxylate

C15H22N2O2 — CID 114500540

IUPACmethyl 3-methyl-4-(4-methylanilino)piperidine-4-carboxylate
SMILESCOC(=O)C1(Nc2ccc(C)cc2)CCNCC1C
InChIInChI=1S/C15H22N2O2/c1-11-4-6-13(7-5-11)17-15(14(18)19-3)8-9-16-10-12(15)2/h4-7,12,16-17H,8-10H2,1-3H3
InChIKeyWBAOOMCDTHLFBT-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.95
Rot. Bonds3

About methyl 3-methyl-4-(4-methylanilino)piperidine-4-carboxylate

methyl 3-methyl-4-(4-methylanilino)piperidine-4-carboxylate (PubChem CID 114500540) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 3-methyl-4-(4-methylanilino)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-4-(4-methylanilino)piperidine-4-carboxylate
PubChem CID114500540
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namemethyl 3-methyl-4-(4-methylanilino)piperidine-4-carboxylate
SMILESCOC(=O)C1(Nc2ccc(C)cc2)CCNCC1C
InChIInChI=1S/C15H22N2O2/c1-11-4-6-13(7-5-11)17-15(14(18)19-3)8-9-16-10-12(15)2/h4-7,12,16-17H,8-10H2,1-3H3
InChIKeyWBAOOMCDTHLFBT-UHFFFAOYSA-N
XLogP1.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-4-(4-methylanilino)piperidine-4-carboxylate?
The IUPAC name of methyl 3-methyl-4-(4-methylanilino)piperidine-4-carboxylate (CID 114500540) is methyl 3-methyl-4-(4-methylanilino)piperidine-4-carboxylate.
What is the SMILES notation for methyl 3-methyl-4-(4-methylanilino)piperidine-4-carboxylate?
The canonical SMILES for methyl 3-methyl-4-(4-methylanilino)piperidine-4-carboxylate is COC(=O)C1(Nc2ccc(C)cc2)CCNCC1C.
What is the InChIKey of methyl 3-methyl-4-(4-methylanilino)piperidine-4-carboxylate?
The InChIKey is WBAOOMCDTHLFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-4-6-13(7-5-11)17-15(14(18)19-3)8-9-16-10-12(15)2/h4-7,12,16-17H,8-10H2,1-3H3.
What are the key properties of methyl 3-methyl-4-(4-methylanilino)piperidine-4-carboxylate?
methyl 3-methyl-4-(4-methylanilino)piperidine-4-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-4-(4-methylanilino)piperidine-4-carboxylate is sourced from PubChem (CID 114500540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).