2-(1-methylpiperidin-4-yl)acetyl chloride

C8H14ClNO — CID 13282022

IUPAC2-(1-methylpiperidin-4-yl)acetyl chloride
SMILESCN1CCC(CC(=O)Cl)CC1
InChIInChI=1S/C8H14ClNO/c1-10-4-2-7(3-5-10)6-8(9)11/h7H,2-6H2,1H3
InChIKeyBJIZNPTWGDICTC-UHFFFAOYSA-N
MW175.66 g/mol
LogP1.48
Rot. Bonds2

About 2-(1-methylpiperidin-4-yl)acetyl chloride

2-(1-methylpiperidin-4-yl)acetyl chloride (PubChem CID 13282022) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)acetyl chloride.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)acetyl chloride
PubChem CID13282022
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name2-(1-methylpiperidin-4-yl)acetyl chloride
SMILESCN1CCC(CC(=O)Cl)CC1
InChIInChI=1S/C8H14ClNO/c1-10-4-2-7(3-5-10)6-8(9)11/h7H,2-6H2,1H3
InChIKeyBJIZNPTWGDICTC-UHFFFAOYSA-N
XLogP1.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.48
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

2-cyclobutylacetyl chloride
CID 14326266
methane;methyl 2-(1-methylpiperidin-4-yl)acetate
CID 160918320
methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride
CID 170913421
1-(1-methylpiperidin-4-yl)pentan-2-one
CID 58553181
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
propan-2-yl 2-(1-methylpiperidin-4-yl)acetate
CID 83983017
1-(4-acetyl-4-methylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
CID 168882694
propyl 2-(1-methylpiperidin-4-yl)acetate
CID 58281270
2-[(1-methylpiperidin-4-yl)methyl]prop-2-ene-1-sulfonyl chloride
CID 117268391
1-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxylic acid
CID 116928821
N-(4-methylcyclohexyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 149102304

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)acetyl chloride?
The IUPAC name of 2-(1-methylpiperidin-4-yl)acetyl chloride (CID 13282022) is 2-(1-methylpiperidin-4-yl)acetyl chloride.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)acetyl chloride?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)acetyl chloride is CN1CCC(CC(=O)Cl)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)acetyl chloride?
The InChIKey is BJIZNPTWGDICTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO/c1-10-4-2-7(3-5-10)6-8(9)11/h7H,2-6H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)acetyl chloride?
2-(1-methylpiperidin-4-yl)acetyl chloride has a molecular weight of 175.66 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)acetyl chloride is sourced from PubChem (CID 13282022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).