4,4-dimethylpiperidine-1-carbonyl chloride

C8H14ClNO — CID 79886027

IUPAC4,4-dimethylpiperidine-1-carbonyl chloride
SMILESCC1(C)CCN(C(=O)Cl)CC1
InChIInChI=1S/C8H14ClNO/c1-8(2)3-5-10(6-4-8)7(9)11/h3-6H2,1-2H3
InChIKeySWWLGZRDERFNRH-UHFFFAOYSA-N
MW175.66 g/mol
LogP2.47
Rot. Bonds

About 4,4-dimethylpiperidine-1-carbonyl chloride

4,4-dimethylpiperidine-1-carbonyl chloride (PubChem CID 79886027) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is 4,4-dimethylpiperidine-1-carbonyl chloride.

Molecular Properties

Compound Name4,4-dimethylpiperidine-1-carbonyl chloride
PubChem CID79886027
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name4,4-dimethylpiperidine-1-carbonyl chloride
SMILESCC1(C)CCN(C(=O)Cl)CC1
InChIInChI=1S/C8H14ClNO/c1-8(2)3-5-10(6-4-8)7(9)11/h3-6H2,1-2H3
InChIKeySWWLGZRDERFNRH-UHFFFAOYSA-N
XLogP2.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpiperidine-1-carbonyl chloride?
The IUPAC name of 4,4-dimethylpiperidine-1-carbonyl chloride (CID 79886027) is 4,4-dimethylpiperidine-1-carbonyl chloride.
What is the SMILES notation for 4,4-dimethylpiperidine-1-carbonyl chloride?
The canonical SMILES for 4,4-dimethylpiperidine-1-carbonyl chloride is CC1(C)CCN(C(=O)Cl)CC1.
What is the InChIKey of 4,4-dimethylpiperidine-1-carbonyl chloride?
The InChIKey is SWWLGZRDERFNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO/c1-8(2)3-5-10(6-4-8)7(9)11/h3-6H2,1-2H3.
What are the key properties of 4,4-dimethylpiperidine-1-carbonyl chloride?
4,4-dimethylpiperidine-1-carbonyl chloride has a molecular weight of 175.66 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpiperidine-1-carbonyl chloride is sourced from PubChem (CID 79886027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).