methyl 1-methyl-3-(2-methylpropyl)piperidine-4-carboxylate

C12H23NO2 — CID 105467059

IUPACmethyl 1-methyl-3-(2-methylpropyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C)CC1CC(C)C
InChIInChI=1S/C12H23NO2/c1-9(2)7-10-8-13(3)6-5-11(10)12(14)15-4/h9-11H,5-8H2,1-4H3
InChIKeyXFRKTIDIPKYWCL-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.77
Rot. Bonds3

About methyl 1-methyl-3-(2-methylpropyl)piperidine-4-carboxylate

methyl 1-methyl-3-(2-methylpropyl)piperidine-4-carboxylate (PubChem CID 105467059) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is methyl 1-methyl-3-(2-methylpropyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-3-(2-methylpropyl)piperidine-4-carboxylate
PubChem CID105467059
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namemethyl 1-methyl-3-(2-methylpropyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C)CC1CC(C)C
InChIInChI=1S/C12H23NO2/c1-9(2)7-10-8-13(3)6-5-11(10)12(14)15-4/h9-11H,5-8H2,1-4H3
InChIKeyXFRKTIDIPKYWCL-UHFFFAOYSA-N
XLogP1.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S,4S)-4-hydroxy-1-methylpiperidine-3-carboxylate
CID 21150450
methyl 2-methyl-3-(1-methylpyrrolidin-3-yl)propanoate
CID 83980575
methyl (3R,4S)-4-hydroxy-1-(3-methylbutyl)piperidine-3-carboxylate
CID 129493249
1-methyl-3,4-bis(2-methylpropyl)pyrrolidine
CID 146418320
methyl (4S)-1-methyl-3-phenylpiperidine-4-carboxylate
CID 163219557
3-(2,2-difluoroethyl)-1-methylpiperidine-4-carboxylic acid
CID 115025039
methyl 1,4-dimethyl-1,4-diazepane-6-carboxylate
CID 118068295
methyl (3R,4S)-1-methyl-4-(2-methylphenyl)piperidine-3-carboxylate
CID 143099801
CID 89108103
CID 89108103
methyl 1-(4-methylpentyl)piperidine-4-carboxylate
CID 83161732
methyl (2S,3S)-2-methyl-6-(2-methylpropyl)oxane-3-carboxylate
CID 134899738
methyl (2R)-2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carboxylate
CID 135039673

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-3-(2-methylpropyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-methyl-3-(2-methylpropyl)piperidine-4-carboxylate (CID 105467059) is methyl 1-methyl-3-(2-methylpropyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-methyl-3-(2-methylpropyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-methyl-3-(2-methylpropyl)piperidine-4-carboxylate is COC(=O)C1CCN(C)CC1CC(C)C.
What is the InChIKey of methyl 1-methyl-3-(2-methylpropyl)piperidine-4-carboxylate?
The InChIKey is XFRKTIDIPKYWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)7-10-8-13(3)6-5-11(10)12(14)15-4/h9-11H,5-8H2,1-4H3.
What are the key properties of methyl 1-methyl-3-(2-methylpropyl)piperidine-4-carboxylate?
methyl 1-methyl-3-(2-methylpropyl)piperidine-4-carboxylate has a molecular weight of 213.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-3-(2-methylpropyl)piperidine-4-carboxylate is sourced from PubChem (CID 105467059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).