1-benzylpiperidine-4-carbonyl chloride

C13H16ClNO — CID 18919767

IUPAC1-benzylpiperidine-4-carbonyl chloride
SMILESO=C(Cl)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H16ClNO/c14-13(16)12-6-8-15(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyPMOIXSCKTPAQIZ-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.66
Rot. Bonds3

About 1-benzylpiperidine-4-carbonyl chloride

1-benzylpiperidine-4-carbonyl chloride (PubChem CID 18919767) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 1-benzylpiperidine-4-carbonyl chloride.

Molecular Properties

Compound Name1-benzylpiperidine-4-carbonyl chloride
PubChem CID18919767
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name1-benzylpiperidine-4-carbonyl chloride
SMILESO=C(Cl)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H16ClNO/c14-13(16)12-6-8-15(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyPMOIXSCKTPAQIZ-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

1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
1-benzylpiperidine-4-carbothioic S-acid
CID 154705821
1-benzylpiperidine-3-carbonyl chloride
CID 22006205
1-(1-benzylpiperidin-4-yl)-2-iminoethanone
CID 91320991
1-(1-benzylpiperidin-4-yl)butane-1,3-dione
CID 82665728
1-[(3S)-1-benzylpyrrolidin-3-yl]-2-chloroethanone
CID 164769335
phenyl 1-benzylpiperidine-4-carboxylate;hydrochloride
CID 18919929
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
propan-2-yl 1-benzylpiperidine-4-carboxylate
CID 83983156
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
1-benzyl-5-hydroxyazepane-4-carboxylic acid
CID 83488362

Frequently Asked Questions

What is the IUPAC name of 1-benzylpiperidine-4-carbonyl chloride?
The IUPAC name of 1-benzylpiperidine-4-carbonyl chloride (CID 18919767) is 1-benzylpiperidine-4-carbonyl chloride.
What is the SMILES notation for 1-benzylpiperidine-4-carbonyl chloride?
The canonical SMILES for 1-benzylpiperidine-4-carbonyl chloride is O=C(Cl)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzylpiperidine-4-carbonyl chloride?
The InChIKey is PMOIXSCKTPAQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-13(16)12-6-8-15(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2.
What are the key properties of 1-benzylpiperidine-4-carbonyl chloride?
1-benzylpiperidine-4-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-4-carbonyl chloride is sourced from PubChem (CID 18919767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).