ethane;4-piperidin-4-ylbutanoic acid

C11H23NO2 — CID 91559288

IUPACethane;4-piperidin-4-ylbutanoic acid
SMILESCC.O=C(O)CCCC1CCNCC1
InChIInChI=1S/C9H17NO2.C2H6/c11-9(12)3-1-2-8-4-6-10-7-5-8;1-2/h8,10H,1-7H2,(H,11,12);1-2H3
InChIKeyBNSWXUXBLFSQNA-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.27
Rot. Bonds4

About ethane;4-piperidin-4-ylbutanoic acid

ethane;4-piperidin-4-ylbutanoic acid (PubChem CID 91559288) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethane;4-piperidin-4-ylbutanoic acid.

Molecular Properties

Compound Nameethane;4-piperidin-4-ylbutanoic acid
PubChem CID91559288
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethane;4-piperidin-4-ylbutanoic acid
SMILESCC.O=C(O)CCCC1CCNCC1
InChIInChI=1S/C9H17NO2.C2H6/c11-9(12)3-1-2-8-4-6-10-7-5-8;1-2/h8,10H,1-7H2,(H,11,12);1-2H3
InChIKeyBNSWXUXBLFSQNA-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze ethane;4-piperidin-4-ylbutanoic acid 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;4-piperidin-4-ylbutanoic acid?
The IUPAC name of ethane;4-piperidin-4-ylbutanoic acid (CID 91559288) is ethane;4-piperidin-4-ylbutanoic acid.
What is the SMILES notation for ethane;4-piperidin-4-ylbutanoic acid?
The canonical SMILES for ethane;4-piperidin-4-ylbutanoic acid is CC.O=C(O)CCCC1CCNCC1.
What is the InChIKey of ethane;4-piperidin-4-ylbutanoic acid?
The InChIKey is BNSWXUXBLFSQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.C2H6/c11-9(12)3-1-2-8-4-6-10-7-5-8;1-2/h8,10H,1-7H2,(H,11,12);1-2H3.
What are the key properties of ethane;4-piperidin-4-ylbutanoic acid?
ethane;4-piperidin-4-ylbutanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-piperidin-4-ylbutanoic acid is sourced from PubChem (CID 91559288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).