2-methyl-2-(2-methylpiperidin-1-yl)propanoyl chloride

C10H18ClNO — CID 82040589

IUPAC2-methyl-2-(2-methylpiperidin-1-yl)propanoyl chloride
SMILESCC1CCCCN1C(C)(C)C(=O)Cl
InChIInChI=1S/C10H18ClNO/c1-8-6-4-5-7-12(8)10(2,3)9(11)13/h8H,4-7H2,1-3H3
InChIKeyIPUUWVYFQHOERA-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.40
Rot. Bonds2

About 2-methyl-2-(2-methylpiperidin-1-yl)propanoyl chloride

2-methyl-2-(2-methylpiperidin-1-yl)propanoyl chloride (PubChem CID 82040589) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 2-methyl-2-(2-methylpiperidin-1-yl)propanoyl chloride.

Molecular Properties

Compound Name2-methyl-2-(2-methylpiperidin-1-yl)propanoyl chloride
PubChem CID82040589
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name2-methyl-2-(2-methylpiperidin-1-yl)propanoyl chloride
SMILESCC1CCCCN1C(C)(C)C(=O)Cl
InChIInChI=1S/C10H18ClNO/c1-8-6-4-5-7-12(8)10(2,3)9(11)13/h8H,4-7H2,1-3H3
InChIKeyIPUUWVYFQHOERA-UHFFFAOYSA-N
XLogP2.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid
CID 124824951
(2S)-2-methylpiperidine-1-carbonyl chloride
CID 45081356
(2R)-2-methyl-1-(2-methylbutan-2-yl)piperidine
CID 135276968
2-hydroxy-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 103429254
3-amino-5-hydroxy-4,4-dimethyl-N-[2-methyl-2-(2-methylpiperidin-1-yl)propanoyl]pent-2-enamide
CID 148903882
2-bromo-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 82110102
2-methyl-2-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 104549070
N-[3-[(Z)-1-hydroxyprop-1-en-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide
CID 136617843
N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide
CID 173486390
tert-butyl 2-methylpiperidine-1-carboxylate;ethane
CID 153328823
2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone
CID 3528857
2-amino-2-cyclopropyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 60866949

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylpiperidin-1-yl)propanoyl chloride?
The IUPAC name of 2-methyl-2-(2-methylpiperidin-1-yl)propanoyl chloride (CID 82040589) is 2-methyl-2-(2-methylpiperidin-1-yl)propanoyl chloride.
What is the SMILES notation for 2-methyl-2-(2-methylpiperidin-1-yl)propanoyl chloride?
The canonical SMILES for 2-methyl-2-(2-methylpiperidin-1-yl)propanoyl chloride is CC1CCCCN1C(C)(C)C(=O)Cl.
What is the InChIKey of 2-methyl-2-(2-methylpiperidin-1-yl)propanoyl chloride?
The InChIKey is IPUUWVYFQHOERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-8-6-4-5-7-12(8)10(2,3)9(11)13/h8H,4-7H2,1-3H3.
What are the key properties of 2-methyl-2-(2-methylpiperidin-1-yl)propanoyl chloride?
2-methyl-2-(2-methylpiperidin-1-yl)propanoyl chloride has a molecular weight of 203.71 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylpiperidin-1-yl)propanoyl chloride is sourced from PubChem (CID 82040589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).