ethane;1-piperidin-1-ylpropan-2-one

C10H21NO — CID 90726504

IUPACethane;1-piperidin-1-ylpropan-2-one
SMILESCC.CC(=O)CN1CCCCC1
InChIInChI=1S/C8H15NO.C2H6/c1-8(10)7-9-5-3-2-4-6-9;1-2/h2-7H2,1H3;1-2H3
InChIKeyBMXJIRFOAHNZID-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.09
Rot. Bonds2

About ethane;1-piperidin-1-ylpropan-2-one

ethane;1-piperidin-1-ylpropan-2-one (PubChem CID 90726504) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is ethane;1-piperidin-1-ylpropan-2-one.

Molecular Properties

Compound Nameethane;1-piperidin-1-ylpropan-2-one
PubChem CID90726504
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nameethane;1-piperidin-1-ylpropan-2-one
SMILESCC.CC(=O)CN1CCCCC1
InChIInChI=1S/C8H15NO.C2H6/c1-8(10)7-9-5-3-2-4-6-9;1-2/h2-7H2,1H3;1-2H3
InChIKeyBMXJIRFOAHNZID-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;1-piperidin-1-ylpropan-2-one 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 ethane;1-piperidin-1-ylpropan-2-one?
The IUPAC name of ethane;1-piperidin-1-ylpropan-2-one (CID 90726504) is ethane;1-piperidin-1-ylpropan-2-one.
What is the SMILES notation for ethane;1-piperidin-1-ylpropan-2-one?
The canonical SMILES for ethane;1-piperidin-1-ylpropan-2-one is CC.CC(=O)CN1CCCCC1.
What is the InChIKey of ethane;1-piperidin-1-ylpropan-2-one?
The InChIKey is BMXJIRFOAHNZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C2H6/c1-8(10)7-9-5-3-2-4-6-9;1-2/h2-7H2,1H3;1-2H3.
What are the key properties of ethane;1-piperidin-1-ylpropan-2-one?
ethane;1-piperidin-1-ylpropan-2-one has a molecular weight of 171.28 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-piperidin-1-ylpropan-2-one is sourced from PubChem (CID 90726504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).