propan-2-yl 2,2-di(propan-2-yl)piperidine-1-carboxylate

C15H29NO2 — CID 91516518

IUPACpropan-2-yl 2,2-di(propan-2-yl)piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCCCC1(C(C)C)C(C)C
InChIInChI=1S/C15H29NO2/c1-11(2)15(12(3)4)9-7-8-10-16(15)14(17)18-13(5)6/h11-13H,7-10H2,1-6H3
InChIKeyORJKEGCIWBBOEX-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.07
Rot. Bonds3

About propan-2-yl 2,2-di(propan-2-yl)piperidine-1-carboxylate

propan-2-yl 2,2-di(propan-2-yl)piperidine-1-carboxylate (PubChem CID 91516518) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is propan-2-yl 2,2-di(propan-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2,2-di(propan-2-yl)piperidine-1-carboxylate
PubChem CID91516518
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Namepropan-2-yl 2,2-di(propan-2-yl)piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCCCC1(C(C)C)C(C)C
InChIInChI=1S/C15H29NO2/c1-11(2)15(12(3)4)9-7-8-10-16(15)14(17)18-13(5)6/h11-13H,7-10H2,1-6H3
InChIKeyORJKEGCIWBBOEX-UHFFFAOYSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2,2-di(propan-2-yl)piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 2,2-di(propan-2-yl)piperidine-1-carboxylate (CID 91516518) is propan-2-yl 2,2-di(propan-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 2,2-di(propan-2-yl)piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 2,2-di(propan-2-yl)piperidine-1-carboxylate is CC(C)OC(=O)N1CCCCC1(C(C)C)C(C)C.
What is the InChIKey of propan-2-yl 2,2-di(propan-2-yl)piperidine-1-carboxylate?
The InChIKey is ORJKEGCIWBBOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-11(2)15(12(3)4)9-7-8-10-16(15)14(17)18-13(5)6/h11-13H,7-10H2,1-6H3.
What are the key properties of propan-2-yl 2,2-di(propan-2-yl)piperidine-1-carboxylate?
propan-2-yl 2,2-di(propan-2-yl)piperidine-1-carboxylate has a molecular weight of 255.40 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2,2-di(propan-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 91516518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).