butan-2-yl 4-methylpiperidine-2-carboxylate

C11H21NO2 — CID 114425052

IUPACbutan-2-yl 4-methylpiperidine-2-carboxylate
SMILESCCC(C)OC(=O)C1CC(C)CCN1
InChIInChI=1S/C11H21NO2/c1-4-9(3)14-11(13)10-7-8(2)5-6-12-10/h8-10,12H,4-7H2,1-3H3
InChIKeyLFMPXDPYNQMSPU-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds3

About butan-2-yl 4-methylpiperidine-2-carboxylate

butan-2-yl 4-methylpiperidine-2-carboxylate (PubChem CID 114425052) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is butan-2-yl 4-methylpiperidine-2-carboxylate.

Molecular Properties

Compound Namebutan-2-yl 4-methylpiperidine-2-carboxylate
PubChem CID114425052
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namebutan-2-yl 4-methylpiperidine-2-carboxylate
SMILESCCC(C)OC(=O)C1CC(C)CCN1
InChIInChI=1S/C11H21NO2/c1-4-9(3)14-11(13)10-7-8(2)5-6-12-10/h8-10,12H,4-7H2,1-3H3
InChIKeyLFMPXDPYNQMSPU-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxypropyl)-4-methylpiperidine-2-carboxamide
CID 114424533
N-(2-methoxypropyl)-4-methylpiperidine-2-carboxamide
CID 102695128
N-(2-ethylbutyl)-4-methylpiperidine-2-carboxamide
CID 114424587
pentyl 4-methylpiperidine-2-carboxylate
CID 114425079
(2S,4S)-4-methylpiperidine-2-carboxylic acid;(2R,4R)-4-methylpiperidine-2-carboxylic acid;dihydrochloride
CID 171921042
cyclopentylmethyl 4-methylpiperidine-2-carboxylate
CID 114425097
N-ethyl-4-methyl-N-propan-2-ylpiperidine-2-carboxamide
CID 114422779
N-(1-cyclopropylethyl)-4-methylpiperidine-2-carboxamide
CID 114422825
4-methyl-N-propan-2-yl-N-propylpiperidine-2-carboxamide
CID 114422783
4-methylpiperidine-2-carbohydrazide
CID 114424068
N-(2-methoxyethyl)-4-methyl-N-pentan-3-ylpiperidine-2-carboxamide
CID 114423422
butan-2-yl 2,3-dihydro-1H-indole-2-carboxylate
CID 60903928

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 4-methylpiperidine-2-carboxylate?
The IUPAC name of butan-2-yl 4-methylpiperidine-2-carboxylate (CID 114425052) is butan-2-yl 4-methylpiperidine-2-carboxylate.
What is the SMILES notation for butan-2-yl 4-methylpiperidine-2-carboxylate?
The canonical SMILES for butan-2-yl 4-methylpiperidine-2-carboxylate is CCC(C)OC(=O)C1CC(C)CCN1.
What is the InChIKey of butan-2-yl 4-methylpiperidine-2-carboxylate?
The InChIKey is LFMPXDPYNQMSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-9(3)14-11(13)10-7-8(2)5-6-12-10/h8-10,12H,4-7H2,1-3H3.
What are the key properties of butan-2-yl 4-methylpiperidine-2-carboxylate?
butan-2-yl 4-methylpiperidine-2-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 4-methylpiperidine-2-carboxylate is sourced from PubChem (CID 114425052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).