ethane;4-piperidin-1-ylpiperidine-1-carbonyl chloride

C15H31ClN2O — CID 142820895

IUPACethane;4-piperidin-1-ylpiperidine-1-carbonyl chloride
SMILESCC.CC.O=C(Cl)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C11H19ClN2O.2C2H6/c12-11(15)14-8-4-10(5-9-14)13-6-2-1-3-7-13;2*1-2/h10H,1-9H2;2*1-2H3
InChIKeyBBBNDERZIIRVKM-UHFFFAOYSA-N
MW290.88 g/mol
LogP4.35
Rot. Bonds1

About ethane;4-piperidin-1-ylpiperidine-1-carbonyl chloride

ethane;4-piperidin-1-ylpiperidine-1-carbonyl chloride (PubChem CID 142820895) has the molecular formula C15H31ClN2O and a molecular weight of 290.88 g/mol. Its IUPAC name is ethane;4-piperidin-1-ylpiperidine-1-carbonyl chloride.

Molecular Properties

Compound Nameethane;4-piperidin-1-ylpiperidine-1-carbonyl chloride
PubChem CID142820895
Molecular FormulaC15H31ClN2O
Molecular Weight290.88 g/mol
Exact Mass290.21
IUPAC Nameethane;4-piperidin-1-ylpiperidine-1-carbonyl chloride
SMILESCC.CC.O=C(Cl)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C11H19ClN2O.2C2H6/c12-11(15)14-8-4-10(5-9-14)13-6-2-1-3-7-13;2*1-2/h10H,1-9H2;2*1-2H3
InChIKeyBBBNDERZIIRVKM-UHFFFAOYSA-N
XLogP4.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.88
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze ethane;4-piperidin-1-ylpiperidine-1-carbonyl chloride 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-1-ylpiperidine-1-carbonyl chloride?
The IUPAC name of ethane;4-piperidin-1-ylpiperidine-1-carbonyl chloride (CID 142820895) is ethane;4-piperidin-1-ylpiperidine-1-carbonyl chloride.
What is the SMILES notation for ethane;4-piperidin-1-ylpiperidine-1-carbonyl chloride?
The canonical SMILES for ethane;4-piperidin-1-ylpiperidine-1-carbonyl chloride is CC.CC.O=C(Cl)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of ethane;4-piperidin-1-ylpiperidine-1-carbonyl chloride?
The InChIKey is BBBNDERZIIRVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O.2C2H6/c12-11(15)14-8-4-10(5-9-14)13-6-2-1-3-7-13;2*1-2/h10H,1-9H2;2*1-2H3.
What are the key properties of ethane;4-piperidin-1-ylpiperidine-1-carbonyl chloride?
ethane;4-piperidin-1-ylpiperidine-1-carbonyl chloride has a molecular weight of 290.88 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-piperidin-1-ylpiperidine-1-carbonyl chloride is sourced from PubChem (CID 142820895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).