3-(1-acetylpiperidin-4-yl)propanoyl chloride

C10H16ClNO2 — CID 10465951

IUPAC3-(1-acetylpiperidin-4-yl)propanoyl chloride
SMILESCC(=O)N1CCC(CCC(=O)Cl)CC1
InChIInChI=1S/C10H16ClNO2/c1-8(13)12-6-4-9(5-7-12)2-3-10(11)14/h9H,2-7H2,1H3
InChIKeyBKCATIMIIHAOEI-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.79
Rot. Bonds3

About 3-(1-acetylpiperidin-4-yl)propanoyl chloride

3-(1-acetylpiperidin-4-yl)propanoyl chloride (PubChem CID 10465951) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-4-yl)propanoyl chloride.

Molecular Properties

Compound Name3-(1-acetylpiperidin-4-yl)propanoyl chloride
PubChem CID10465951
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Name3-(1-acetylpiperidin-4-yl)propanoyl chloride
SMILESCC(=O)N1CCC(CCC(=O)Cl)CC1
InChIInChI=1S/C10H16ClNO2/c1-8(13)12-6-4-9(5-7-12)2-3-10(11)14/h9H,2-7H2,1H3
InChIKeyBKCATIMIIHAOEI-UHFFFAOYSA-N
XLogP1.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-4-yl)propanoyl chloride?
The IUPAC name of 3-(1-acetylpiperidin-4-yl)propanoyl chloride (CID 10465951) is 3-(1-acetylpiperidin-4-yl)propanoyl chloride.
What is the SMILES notation for 3-(1-acetylpiperidin-4-yl)propanoyl chloride?
The canonical SMILES for 3-(1-acetylpiperidin-4-yl)propanoyl chloride is CC(=O)N1CCC(CCC(=O)Cl)CC1.
What is the InChIKey of 3-(1-acetylpiperidin-4-yl)propanoyl chloride?
The InChIKey is BKCATIMIIHAOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO2/c1-8(13)12-6-4-9(5-7-12)2-3-10(11)14/h9H,2-7H2,1H3.
What are the key properties of 3-(1-acetylpiperidin-4-yl)propanoyl chloride?
3-(1-acetylpiperidin-4-yl)propanoyl chloride has a molecular weight of 217.70 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetylpiperidin-4-yl)propanoyl chloride is sourced from PubChem (CID 10465951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).