methyl 2,4-dimethylpiperidine-1-carboxylate

C9H17NO2 — CID 115643665

IUPACmethyl 2,4-dimethylpiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C)CC1C
InChIInChI=1S/C9H17NO2/c1-7-4-5-10(8(2)6-7)9(11)12-3/h7-8H,4-6H2,1-3H3
InChIKeyMGVABTMLUQIEOV-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.87
Rot. Bonds

About methyl 2,4-dimethylpiperidine-1-carboxylate

methyl 2,4-dimethylpiperidine-1-carboxylate (PubChem CID 115643665) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl 2,4-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-dimethylpiperidine-1-carboxylate
PubChem CID115643665
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl 2,4-dimethylpiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C)CC1C
InChIInChI=1S/C9H17NO2/c1-7-4-5-10(8(2)6-7)9(11)12-3/h7-8H,4-6H2,1-3H3
InChIKeyMGVABTMLUQIEOV-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 4-methylpiperidine-1-carboxylate
CID 251481
methyl N-methyl-N-[(1-methylpiperidin-3-yl)methyl]carbamate
CID 115190705
methyl N-methyl-N-((1-methylpiperidin-4-yl)methyl)carbamate
CID 115611657
methyl (2R,4R)-2-cyclohexyl-4-fluoropiperidine-1-carboxylate
CID 71351403
methyl (2R,4S)-2-cyclohexyl-4-fluoropiperidine-1-carboxylate
CID 154713780
1-Piperidinecarboxylic acid, 2-propyl-, methyl ester
CID 259042
Methyl 2-methylpiperidine-1-carboxylate
CID 259076
Methyl 2-isopropylpyrrolidine-1-carboxylate
CID 12064729
1-Piperidinecarboxylic acid, 5-ethyl-2-methyl-, isopropyl ester
CID 239253
Methyl 2-ethylpiperidine-1-carboxylate
CID 260250
2-Methylpropyl 2-ethylpiperidine-1-carboxylate
CID 260253
Ethyl 3-methylpiperidine-1-carboxylate
CID 251480

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethylpiperidine-1-carboxylate?
The IUPAC name of methyl 2,4-dimethylpiperidine-1-carboxylate (CID 115643665) is methyl 2,4-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for methyl 2,4-dimethylpiperidine-1-carboxylate?
The canonical SMILES for methyl 2,4-dimethylpiperidine-1-carboxylate is COC(=O)N1CCC(C)CC1C.
What is the InChIKey of methyl 2,4-dimethylpiperidine-1-carboxylate?
The InChIKey is MGVABTMLUQIEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-4-5-10(8(2)6-7)9(11)12-3/h7-8H,4-6H2,1-3H3.
What are the key properties of methyl 2,4-dimethylpiperidine-1-carboxylate?
methyl 2,4-dimethylpiperidine-1-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 115643665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).