3-(3-phenylphenyl)piperidine-1-carbonyl chloride

C18H18ClNO — CID 139549078

IUPAC3-(3-phenylphenyl)piperidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCCC(c2cccc(-c3ccccc3)c2)C1
InChIInChI=1S/C18H18ClNO/c19-18(21)20-11-5-10-17(13-20)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-4,6-9,12,17H,5,10-11,13H2
InChIKeyMGZPPUJMEADGOL-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.89
Rot. Bonds2

About 3-(3-phenylphenyl)piperidine-1-carbonyl chloride

3-(3-phenylphenyl)piperidine-1-carbonyl chloride (PubChem CID 139549078) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-(3-phenylphenyl)piperidine-1-carbonyl chloride.

Molecular Properties

Compound Name3-(3-phenylphenyl)piperidine-1-carbonyl chloride
PubChem CID139549078
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name3-(3-phenylphenyl)piperidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCCC(c2cccc(-c3ccccc3)c2)C1
InChIInChI=1S/C18H18ClNO/c19-18(21)20-11-5-10-17(13-20)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-4,6-9,12,17H,5,10-11,13H2
InChIKeyMGZPPUJMEADGOL-UHFFFAOYSA-N
XLogP4.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-(3-phenylphenyl)piperidine-1-carboxylate
CID 155788326
4-(3-phenylphenyl)piperidine-1-carboxylic acid
CID 151080045
3-[(3S)-1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidin-3-yl]benzoic acid
CID 97210347
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzoic acid
CID 50742353
(3R)-3-phenyl-N-(2-phenylphenyl)piperidine-1-carboxamide
CID 1433497
(3-aminophenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 155682211
(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110868609
3-methyl-1-(3-phenylpiperidin-1-yl)butan-1-one
CID 141126685
(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 740543
1-bicyclo[1.1.0]butanyl-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 176578246
2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone
CID 141126673
4-(3-cyclobutylphenyl)-2-fluorobenzoic acid
CID 114605034

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylphenyl)piperidine-1-carbonyl chloride?
The IUPAC name of 3-(3-phenylphenyl)piperidine-1-carbonyl chloride (CID 139549078) is 3-(3-phenylphenyl)piperidine-1-carbonyl chloride.
What is the SMILES notation for 3-(3-phenylphenyl)piperidine-1-carbonyl chloride?
The canonical SMILES for 3-(3-phenylphenyl)piperidine-1-carbonyl chloride is O=C(Cl)N1CCCC(c2cccc(-c3ccccc3)c2)C1.
What is the InChIKey of 3-(3-phenylphenyl)piperidine-1-carbonyl chloride?
The InChIKey is MGZPPUJMEADGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c19-18(21)20-11-5-10-17(13-20)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-4,6-9,12,17H,5,10-11,13H2.
What are the key properties of 3-(3-phenylphenyl)piperidine-1-carbonyl chloride?
3-(3-phenylphenyl)piperidine-1-carbonyl chloride has a molecular weight of 299.80 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylphenyl)piperidine-1-carbonyl chloride is sourced from PubChem (CID 139549078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).