1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate

C11H18NO4- — CID 6921829

IUPAC1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)[O-])CC1
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/p-1
InChIKeyJWOHBPPVVDQMKB-UHFFFAOYSA-M
MW228.27 g/mol
LogP0.38
Rot. Bonds1

About 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate

1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate (PubChem CID 6921829) has the molecular formula C11H18NO4- and a molecular weight of 228.27 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate
PubChem CID6921829
Molecular FormulaC11H18NO4-
Molecular Weight228.27 g/mol
Exact Mass228.12
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)[O-])CC1
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/p-1
InChIKeyJWOHBPPVVDQMKB-UHFFFAOYSA-M
XLogP0.38
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate (CID 6921829) is 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)[O-])CC1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate?
The InChIKey is JWOHBPPVVDQMKB-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/p-1.
What are the key properties of 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate?
1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate has a molecular weight of 228.27 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 6921829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).