butan-2-yl 4-methylpiperidine-1-carboxylate

C11H21NO2 — CID 58345850

IUPACbutan-2-yl 4-methylpiperidine-1-carboxylate
SMILESCCC(C)OC(=O)N1CCC(C)CC1
InChIInChI=1S/C11H21NO2/c1-4-10(3)14-11(13)12-7-5-9(2)6-8-12/h9-10H,4-8H2,1-3H3
InChIKeyRSHLOHBSAYXFOU-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.65
Rot. Bonds2

About butan-2-yl 4-methylpiperidine-1-carboxylate

butan-2-yl 4-methylpiperidine-1-carboxylate (PubChem CID 58345850) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is butan-2-yl 4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebutan-2-yl 4-methylpiperidine-1-carboxylate
PubChem CID58345850
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namebutan-2-yl 4-methylpiperidine-1-carboxylate
SMILESCCC(C)OC(=O)N1CCC(C)CC1
InChIInChI=1S/C11H21NO2/c1-4-10(3)14-11(13)12-7-5-9(2)6-8-12/h9-10H,4-8H2,1-3H3
InChIKeyRSHLOHBSAYXFOU-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

butan-2-yl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 150128918
butan-2-yl 3-hydroxyazetidine-1-carboxylate
CID 133080854
sulfanyl 4-methylpiperidine-1-carboxylate
CID 89011806
butan-2-yl 3-oxoazetidine-1-carboxylate
CID 172738538
(2S)-2-amino-1-(4-methylpiperidin-1-yl)butan-1-one
CID 79025031
2-hydroxy-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 126991157
(2S)-2-chloro-1-(4-methylpiperidin-1-yl)butan-1-one
CID 129497057
ethyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113003136
N-butan-2-yl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145402
N-(2-ethoxypropyl)-4-methylpiperidine-1-carboxamide
CID 115667465
N-(3-ethylpentan-2-yl)-4-methylpiperidine-1-carboxamide
CID 115619164
4-methyl-N-(2-methylbutyl)piperidine-1-carboxamide
CID 116655598

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 4-methylpiperidine-1-carboxylate?
The IUPAC name of butan-2-yl 4-methylpiperidine-1-carboxylate (CID 58345850) is butan-2-yl 4-methylpiperidine-1-carboxylate.
What is the SMILES notation for butan-2-yl 4-methylpiperidine-1-carboxylate?
The canonical SMILES for butan-2-yl 4-methylpiperidine-1-carboxylate is CCC(C)OC(=O)N1CCC(C)CC1.
What is the InChIKey of butan-2-yl 4-methylpiperidine-1-carboxylate?
The InChIKey is RSHLOHBSAYXFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-10(3)14-11(13)12-7-5-9(2)6-8-12/h9-10H,4-8H2,1-3H3.
What are the key properties of butan-2-yl 4-methylpiperidine-1-carboxylate?
butan-2-yl 4-methylpiperidine-1-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 58345850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).