2,3-dimethylpiperidine-1-carbonyl chloride

C8H14ClNO — CID 79886901

IUPAC2,3-dimethylpiperidine-1-carbonyl chloride
SMILESCC1CCCN(C(=O)Cl)C1C
InChIInChI=1S/C8H14ClNO/c1-6-4-3-5-10(7(6)2)8(9)11/h6-7H,3-5H2,1-2H3
InChIKeyLZOBJLYTOCNYAP-UHFFFAOYSA-N
MW175.66 g/mol
LogP2.47
Rot. Bonds

About 2,3-dimethylpiperidine-1-carbonyl chloride

2,3-dimethylpiperidine-1-carbonyl chloride (PubChem CID 79886901) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is 2,3-dimethylpiperidine-1-carbonyl chloride.

Molecular Properties

Compound Name2,3-dimethylpiperidine-1-carbonyl chloride
PubChem CID79886901
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name2,3-dimethylpiperidine-1-carbonyl chloride
SMILESCC1CCCN(C(=O)Cl)C1C
InChIInChI=1S/C8H14ClNO/c1-6-4-3-5-10(7(6)2)8(9)11/h6-7H,3-5H2,1-2H3
InChIKeyLZOBJLYTOCNYAP-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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Related Compounds

1-(2,3-dimethylpiperidin-1-yl)propan-1-one
CID 64591825
(2,3-dimethylpiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 115665198
(2R)-1-(2,3-dimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922537
1-(2,3-dimethylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 62122858
2-amino-1-(2,3-dimethylpiperidin-1-yl)propan-1-one
CID 62123034
(2S)-2-methylpiperidine-1-carbonyl chloride
CID 45081356
1-(2,3-dimethylpiperidin-1-yl)-2,2,3,3,3-pentafluoropropan-1-one
CID 114038145
5-(2,3-dimethylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
CID 62122760
1-(2,3-dimethylpiperidin-1-yl)-2-methoxypropan-1-one
CID 115647053
1-(2,3-dimethylpiperidin-1-yl)-2-(methylamino)propan-1-one
CID 62637898
3-amino-1-(2,3-dimethylpiperidin-1-yl)-2-methylpropan-1-one
CID 55211075
2-bromo-1-(2,3-dimethylpiperidin-1-yl)butan-1-one
CID 62856002

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpiperidine-1-carbonyl chloride?
The IUPAC name of 2,3-dimethylpiperidine-1-carbonyl chloride (CID 79886901) is 2,3-dimethylpiperidine-1-carbonyl chloride.
What is the SMILES notation for 2,3-dimethylpiperidine-1-carbonyl chloride?
The canonical SMILES for 2,3-dimethylpiperidine-1-carbonyl chloride is CC1CCCN(C(=O)Cl)C1C.
What is the InChIKey of 2,3-dimethylpiperidine-1-carbonyl chloride?
The InChIKey is LZOBJLYTOCNYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO/c1-6-4-3-5-10(7(6)2)8(9)11/h6-7H,3-5H2,1-2H3.
What are the key properties of 2,3-dimethylpiperidine-1-carbonyl chloride?
2,3-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 2,3-dimethylpiperidine-1-carbonyl chloride is sourced from PubChem (CID 79886901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).