2-pentan-2-yl-1-propan-2-ylpiperidine

C13H27N — CID 135193938

IUPAC2-pentan-2-yl-1-propan-2-ylpiperidine
SMILESCCCC(C)C1CCCCN1C(C)C
InChIInChI=1S/C13H27N/c1-5-8-12(4)13-9-6-7-10-14(13)11(2)3/h11-13H,5-10H2,1-4H3
InChIKeySPCGRCQLCFNPMZ-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.69
Rot. Bonds4

About 2-pentan-2-yl-1-propan-2-ylpiperidine

2-pentan-2-yl-1-propan-2-ylpiperidine (PubChem CID 135193938) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2-pentan-2-yl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name2-pentan-2-yl-1-propan-2-ylpiperidine
PubChem CID135193938
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2-pentan-2-yl-1-propan-2-ylpiperidine
SMILESCCCC(C)C1CCCCN1C(C)C
InChIInChI=1S/C13H27N/c1-5-8-12(4)13-9-6-7-10-14(13)11(2)3/h11-13H,5-10H2,1-4H3
InChIKeySPCGRCQLCFNPMZ-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-yl-1-propan-2-ylpiperidine?
The IUPAC name of 2-pentan-2-yl-1-propan-2-ylpiperidine (CID 135193938) is 2-pentan-2-yl-1-propan-2-ylpiperidine.
What is the SMILES notation for 2-pentan-2-yl-1-propan-2-ylpiperidine?
The canonical SMILES for 2-pentan-2-yl-1-propan-2-ylpiperidine is CCCC(C)C1CCCCN1C(C)C.
What is the InChIKey of 2-pentan-2-yl-1-propan-2-ylpiperidine?
The InChIKey is SPCGRCQLCFNPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-8-12(4)13-9-6-7-10-14(13)11(2)3/h11-13H,5-10H2,1-4H3.
What are the key properties of 2-pentan-2-yl-1-propan-2-ylpiperidine?
2-pentan-2-yl-1-propan-2-ylpiperidine has a molecular weight of 197.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-yl-1-propan-2-ylpiperidine is sourced from PubChem (CID 135193938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).