3-propan-2-ylpiperidine

C8H17N — CID 541786

IUPAC3-propan-2-ylpiperidine
SMILESCC(C)C1CCCNC1
InChIInChI=1S/C8H17N/c1-7(2)8-4-3-5-9-6-8/h7-9H,3-6H2,1-2H3
InChIKeyFKEYLVBZOQMOOV-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.64
Rot. Bonds1

About 3-propan-2-ylpiperidine

3-propan-2-ylpiperidine (PubChem CID 541786) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 3-propan-2-ylpiperidine.

Molecular Properties

Compound Name3-propan-2-ylpiperidine
PubChem CID541786
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name3-propan-2-ylpiperidine
SMILESCC(C)C1CCCNC1
InChIInChI=1S/C8H17N/c1-7(2)8-4-3-5-9-6-8/h7-9H,3-6H2,1-2H3
InChIKeyFKEYLVBZOQMOOV-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-propan-2-ylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylpiperidine?
The IUPAC name of 3-propan-2-ylpiperidine (CID 541786) is 3-propan-2-ylpiperidine.
What is the SMILES notation for 3-propan-2-ylpiperidine?
The canonical SMILES for 3-propan-2-ylpiperidine is CC(C)C1CCCNC1.
What is the InChIKey of 3-propan-2-ylpiperidine?
The InChIKey is FKEYLVBZOQMOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-7(2)8-4-3-5-9-6-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-propan-2-ylpiperidine?
3-propan-2-ylpiperidine has a molecular weight of 127.23 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylpiperidine is sourced from PubChem (CID 541786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).