2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate

C13H26N2O2 — CID 142781179

IUPAC2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(NC(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)9-17-13(16)15-7-5-12(6-8-15)14-11(3)4/h10-12,14H,5-9H2,1-4H3
InChIKeyRLSHIAVGZQFWPX-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.24
Rot. Bonds4

About 2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate

2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate (PubChem CID 142781179) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate
PubChem CID142781179
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(NC(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)9-17-13(16)15-7-5-12(6-8-15)14-11(3)4/h10-12,14H,5-9H2,1-4H3
InChIKeyRLSHIAVGZQFWPX-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 69398316
2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate
CID 108562132
2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate
CID 108559419
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
2-methylpropyl 4-[[(1R,2S)-2-hydroxycyclohexyl]amino]piperidine-1-carboxylate
CID 99851619
2-methylpropyl 4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]piperidine-1-carboxylate
CID 97056288
2-methylpropyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562438
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 3-[(propan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 71270916
ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate
CID 43196751

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate (CID 142781179) is 2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(NC(C)C)CC1.
What is the InChIKey of 2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate?
The InChIKey is RLSHIAVGZQFWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)9-17-13(16)15-7-5-12(6-8-15)14-11(3)4/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate?
2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 142781179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).