1-phenyl-3-piperidin-4-ylpropane-1,3-dione;hydrochloride

C14H18ClNO2 — CID 21193151

IUPAC1-phenyl-3-piperidin-4-ylpropane-1,3-dione;hydrochloride
SMILESCl.O=C(CC(=O)C1CCNCC1)c1ccccc1
InChIInChI=1S/C14H17NO2.ClH/c16-13(11-4-2-1-3-5-11)10-14(17)12-6-8-15-9-7-12;/h1-5,12,15H,6-10H2;1H
InChIKeyBZJQCIZAZUYPMG-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.25
Rot. Bonds4

About 1-phenyl-3-piperidin-4-ylpropane-1,3-dione;hydrochloride

1-phenyl-3-piperidin-4-ylpropane-1,3-dione;hydrochloride (PubChem CID 21193151) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-phenyl-3-piperidin-4-ylpropane-1,3-dione;hydrochloride.

Molecular Properties

Compound Name1-phenyl-3-piperidin-4-ylpropane-1,3-dione;hydrochloride
PubChem CID21193151
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name1-phenyl-3-piperidin-4-ylpropane-1,3-dione;hydrochloride
SMILESCl.O=C(CC(=O)C1CCNCC1)c1ccccc1
InChIInChI=1S/C14H17NO2.ClH/c16-13(11-4-2-1-3-5-11)10-14(17)12-6-8-15-9-7-12;/h1-5,12,15H,6-10H2;1H
InChIKeyBZJQCIZAZUYPMG-UHFFFAOYSA-N
XLogP2.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-3-(4-phenylphenyl)propane-1,3-dione
CID 63318739
1-(1-benzoylpiperidin-4-yl)-3-phenylpropane-1,3-dione
CID 15428765
phenyl-[(3R)-pyrrolidin-3-yl]methanone
CID 86327261
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
1-phenyl-3-piperidin-4-yloxypropan-1-one
CID 116572261
1-phenyl-2-[piperidin-4-yl(propyl)amino]ethanone
CID 62031069
3-(azepan-4-yl)-1-phenylpropan-1-one
CID 142133654
N-benzylpiperidine-4-carboxamide
CID 3868064
N-benzhydrylpiperidine-4-carboxamide
CID 119263888
N-[(1R)-2-hydroxy-1-phenylethyl]piperidine-4-carboxamide
CID 103951345
2-phenyl-N-piperidin-4-ylacetamide
CID 1445168

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-piperidin-4-ylpropane-1,3-dione;hydrochloride?
The IUPAC name of 1-phenyl-3-piperidin-4-ylpropane-1,3-dione;hydrochloride (CID 21193151) is 1-phenyl-3-piperidin-4-ylpropane-1,3-dione;hydrochloride.
What is the SMILES notation for 1-phenyl-3-piperidin-4-ylpropane-1,3-dione;hydrochloride?
The canonical SMILES for 1-phenyl-3-piperidin-4-ylpropane-1,3-dione;hydrochloride is Cl.O=C(CC(=O)C1CCNCC1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-piperidin-4-ylpropane-1,3-dione;hydrochloride?
The InChIKey is BZJQCIZAZUYPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2.ClH/c16-13(11-4-2-1-3-5-11)10-14(17)12-6-8-15-9-7-12;/h1-5,12,15H,6-10H2;1H.
What are the key properties of 1-phenyl-3-piperidin-4-ylpropane-1,3-dione;hydrochloride?
1-phenyl-3-piperidin-4-ylpropane-1,3-dione;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-piperidin-4-ylpropane-1,3-dione;hydrochloride is sourced from PubChem (CID 21193151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).