3,5-dimethylpiperidine-1-carbonyl chloride

C8H14ClNO — CID 22155860

IUPAC3,5-dimethylpiperidine-1-carbonyl chloride
SMILESCC1CC(C)CN(C(=O)Cl)C1
InChIInChI=1S/C8H14ClNO/c1-6-3-7(2)5-10(4-6)8(9)11/h6-7H,3-5H2,1-2H3
InChIKeyXKWWTGFKHIQSCM-UHFFFAOYSA-N
MW175.66 g/mol
LogP2.32
Rot. Bonds

About 3,5-dimethylpiperidine-1-carbonyl chloride

3,5-dimethylpiperidine-1-carbonyl chloride (PubChem CID 22155860) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is 3,5-dimethylpiperidine-1-carbonyl chloride.

Molecular Properties

Compound Name3,5-dimethylpiperidine-1-carbonyl chloride
PubChem CID22155860
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name3,5-dimethylpiperidine-1-carbonyl chloride
SMILESCC1CC(C)CN(C(=O)Cl)C1
InChIInChI=1S/C8H14ClNO/c1-6-3-7(2)5-10(4-6)8(9)11/h6-7H,3-5H2,1-2H3
InChIKeyXKWWTGFKHIQSCM-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
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 3,5-dimethylpiperidine-1-carbonyl chloride?
The IUPAC name of 3,5-dimethylpiperidine-1-carbonyl chloride (CID 22155860) is 3,5-dimethylpiperidine-1-carbonyl chloride.
What is the SMILES notation for 3,5-dimethylpiperidine-1-carbonyl chloride?
The canonical SMILES for 3,5-dimethylpiperidine-1-carbonyl chloride is CC1CC(C)CN(C(=O)Cl)C1.
What is the InChIKey of 3,5-dimethylpiperidine-1-carbonyl chloride?
The InChIKey is XKWWTGFKHIQSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO/c1-6-3-7(2)5-10(4-6)8(9)11/h6-7H,3-5H2,1-2H3.
What are the key properties of 3,5-dimethylpiperidine-1-carbonyl chloride?
3,5-dimethylpiperidine-1-carbonyl chloride has a molecular weight of 175.66 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylpiperidine-1-carbonyl chloride is sourced from PubChem (CID 22155860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).