2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate

C13H25NO2 — CID 21025591

IUPAC2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-10(2)9-16-13(15)14-7-5-12(6-8-14)11(3)4/h10-12H,5-9H2,1-4H3
InChIKeyNGVBSEXTQBKYHI-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.15
Rot. Bonds3

About 2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate

2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate (PubChem CID 21025591) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
PubChem CID21025591
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-10(2)9-16-13(15)14-7-5-12(6-8-14)11(3)4/h10-12H,5-9H2,1-4H3
InChIKeyNGVBSEXTQBKYHI-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316
2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate
CID 142781179
2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate
CID 108562132
2-methylpropyl 4-(2-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
CID 67123498
2-methylpropyl 3-aminopyrrolidine-1-carboxylate
CID 62067213
2-methylpropyl (3R)-3-aminopyrrolidine-1-carboxylate
CID 94340136
ethane;2-methylpropyl 4-[(1-acetylpiperidin-4-yl)methyl]piperidine-1-carboxylate
CID 171073059
2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate
CID 108559419
2-methylpropyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate
CID 69120900
2-methylpropyl 1-[1-(2-methylpropoxycarbonyl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 91737621
2-methylpropyl 4-(4-propan-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate
CID 171072871
(3R)-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 94917653

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate (CID 21025591) is 2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate is CC(C)COC(=O)N1CCC(C(C)C)CC1.
What is the InChIKey of 2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate?
The InChIKey is NGVBSEXTQBKYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(2)9-16-13(15)14-7-5-12(6-8-14)11(3)4/h10-12H,5-9H2,1-4H3.
What are the key properties of 2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate?
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate has a molecular weight of 227.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 21025591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).