1-acetyl-4-methylpiperidine-4-carbonyl chloride

C9H14ClNO2 — CID 150608884

IUPAC1-acetyl-4-methylpiperidine-4-carbonyl chloride
SMILESCC(=O)N1CCC(C)(C(=O)Cl)CC1
InChIInChI=1S/C9H14ClNO2/c1-7(12)11-5-3-9(2,4-6-11)8(10)13/h3-6H2,1-2H3
InChIKeyITLUQUCRLOSNBB-UHFFFAOYSA-N
MW203.67 g/mol
LogP1.40
Rot. Bonds1

About 1-acetyl-4-methylpiperidine-4-carbonyl chloride

1-acetyl-4-methylpiperidine-4-carbonyl chloride (PubChem CID 150608884) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is 1-acetyl-4-methylpiperidine-4-carbonyl chloride.

Molecular Properties

Compound Name1-acetyl-4-methylpiperidine-4-carbonyl chloride
PubChem CID150608884
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC Name1-acetyl-4-methylpiperidine-4-carbonyl chloride
SMILESCC(=O)N1CCC(C)(C(=O)Cl)CC1
InChIInChI=1S/C9H14ClNO2/c1-7(12)11-5-3-9(2,4-6-11)8(10)13/h3-6H2,1-2H3
InChIKeyITLUQUCRLOSNBB-UHFFFAOYSA-N
XLogP1.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 51.40
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 1-acetyl-4-methylpiperidine-4-carbonyl chloride?
The IUPAC name of 1-acetyl-4-methylpiperidine-4-carbonyl chloride (CID 150608884) is 1-acetyl-4-methylpiperidine-4-carbonyl chloride.
What is the SMILES notation for 1-acetyl-4-methylpiperidine-4-carbonyl chloride?
The canonical SMILES for 1-acetyl-4-methylpiperidine-4-carbonyl chloride is CC(=O)N1CCC(C)(C(=O)Cl)CC1.
What is the InChIKey of 1-acetyl-4-methylpiperidine-4-carbonyl chloride?
The InChIKey is ITLUQUCRLOSNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO2/c1-7(12)11-5-3-9(2,4-6-11)8(10)13/h3-6H2,1-2H3.
What are the key properties of 1-acetyl-4-methylpiperidine-4-carbonyl chloride?
1-acetyl-4-methylpiperidine-4-carbonyl chloride has a molecular weight of 203.67 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-methylpiperidine-4-carbonyl chloride is sourced from PubChem (CID 150608884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).