1-benzylpiperidine-3-carbonyl chloride

C13H16ClNO — CID 22006205

IUPAC1-benzylpiperidine-3-carbonyl chloride
SMILESO=C(Cl)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C13H16ClNO/c14-13(16)12-7-4-8-15(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChIKeyORNUXIUKCGTDAN-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.66
Rot. Bonds3

About 1-benzylpiperidine-3-carbonyl chloride

1-benzylpiperidine-3-carbonyl chloride (PubChem CID 22006205) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 1-benzylpiperidine-3-carbonyl chloride.

Molecular Properties

Compound Name1-benzylpiperidine-3-carbonyl chloride
PubChem CID22006205
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name1-benzylpiperidine-3-carbonyl chloride
SMILESO=C(Cl)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C13H16ClNO/c14-13(16)12-7-4-8-15(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChIKeyORNUXIUKCGTDAN-UHFFFAOYSA-N
XLogP2.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.66
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

[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one
CID 82384810
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone
CID 119915515
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
(3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124778099
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
1-benzyl-3-prop-1-en-2-ylpiperidine
CID 174380345
(1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone
CID 142430235
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369

Frequently Asked Questions

What is the IUPAC name of 1-benzylpiperidine-3-carbonyl chloride?
The IUPAC name of 1-benzylpiperidine-3-carbonyl chloride (CID 22006205) is 1-benzylpiperidine-3-carbonyl chloride.
What is the SMILES notation for 1-benzylpiperidine-3-carbonyl chloride?
The canonical SMILES for 1-benzylpiperidine-3-carbonyl chloride is O=C(Cl)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzylpiperidine-3-carbonyl chloride?
The InChIKey is ORNUXIUKCGTDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-13(16)12-7-4-8-15(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2.
What are the key properties of 1-benzylpiperidine-3-carbonyl chloride?
1-benzylpiperidine-3-carbonyl chloride has a molecular weight of 237.73 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpiperidine-3-carbonyl chloride is sourced from PubChem (CID 22006205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).