acetic acid;3-piperidin-4-ylpropanoyl chloride

C10H18ClNO3 — CID 174419355

IUPACacetic acid;3-piperidin-4-ylpropanoyl chloride
SMILESCC(=O)O.O=C(Cl)CCC1CCNCC1
InChIInChI=1S/C8H14ClNO.C2H4O2/c9-8(11)2-1-7-3-5-10-6-4-7;1-2(3)4/h7,10H,1-6H2;1H3,(H,3,4)
InChIKeyNUWLWCXAKLHNDM-UHFFFAOYSA-N
MW235.71 g/mol
LogP1.62
Rot. Bonds3

About acetic acid;3-piperidin-4-ylpropanoyl chloride

acetic acid;3-piperidin-4-ylpropanoyl chloride (PubChem CID 174419355) has the molecular formula C10H18ClNO3 and a molecular weight of 235.71 g/mol. Its IUPAC name is acetic acid;3-piperidin-4-ylpropanoyl chloride.

Molecular Properties

Compound Nameacetic acid;3-piperidin-4-ylpropanoyl chloride
PubChem CID174419355
Molecular FormulaC10H18ClNO3
Molecular Weight235.71 g/mol
Exact Mass235.10
IUPAC Nameacetic acid;3-piperidin-4-ylpropanoyl chloride
SMILESCC(=O)O.O=C(Cl)CCC1CCNCC1
InChIInChI=1S/C8H14ClNO.C2H4O2/c9-8(11)2-1-7-3-5-10-6-4-7;1-2(3)4/h7,10H,1-6H2;1H3,(H,3,4)
InChIKeyNUWLWCXAKLHNDM-UHFFFAOYSA-N
XLogP1.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze acetic acid;3-piperidin-4-ylpropanoyl 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 acetic acid;3-piperidin-4-ylpropanoyl chloride?
The IUPAC name of acetic acid;3-piperidin-4-ylpropanoyl chloride (CID 174419355) is acetic acid;3-piperidin-4-ylpropanoyl chloride.
What is the SMILES notation for acetic acid;3-piperidin-4-ylpropanoyl chloride?
The canonical SMILES for acetic acid;3-piperidin-4-ylpropanoyl chloride is CC(=O)O.O=C(Cl)CCC1CCNCC1.
What is the InChIKey of acetic acid;3-piperidin-4-ylpropanoyl chloride?
The InChIKey is NUWLWCXAKLHNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO.C2H4O2/c9-8(11)2-1-7-3-5-10-6-4-7;1-2(3)4/h7,10H,1-6H2;1H3,(H,3,4).
What are the key properties of acetic acid;3-piperidin-4-ylpropanoyl chloride?
acetic acid;3-piperidin-4-ylpropanoyl chloride has a molecular weight of 235.71 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-piperidin-4-ylpropanoyl chloride is sourced from PubChem (CID 174419355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).