1-benzyl-4-(4-chlorophenyl)piperidine-4-carbonyl chloride

C19H19Cl2NO — CID 87592673

IUPAC1-benzyl-4-(4-chlorophenyl)piperidine-4-carbonyl chloride
SMILESO=C(Cl)C1(c2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H19Cl2NO/c20-17-8-6-16(7-9-17)19(18(21)23)10-12-22(13-11-19)14-15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyUUOARXCPUKAUIJ-UHFFFAOYSA-N
MW348.27 g/mol
LogP4.64
Rot. Bonds4

About 1-benzyl-4-(4-chlorophenyl)piperidine-4-carbonyl chloride

1-benzyl-4-(4-chlorophenyl)piperidine-4-carbonyl chloride (PubChem CID 87592673) has the molecular formula C19H19Cl2NO and a molecular weight of 348.27 g/mol. Its IUPAC name is 1-benzyl-4-(4-chlorophenyl)piperidine-4-carbonyl chloride.

Molecular Properties

Compound Name1-benzyl-4-(4-chlorophenyl)piperidine-4-carbonyl chloride
PubChem CID87592673
Molecular FormulaC19H19Cl2NO
Molecular Weight348.27 g/mol
Exact Mass347.08
IUPAC Name1-benzyl-4-(4-chlorophenyl)piperidine-4-carbonyl chloride
SMILESO=C(Cl)C1(c2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H19Cl2NO/c20-17-8-6-16(7-9-17)19(18(21)23)10-12-22(13-11-19)14-15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyUUOARXCPUKAUIJ-UHFFFAOYSA-N
XLogP4.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 54.64
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-benzyl-4-(3,4-dimethylphenyl)piperidine-4-carbonyl chloride;hydrochloride
CID 87591877
1-benzyl-4-(4-chlorophenyl)-4-fluoropiperidine
CID 18675820
(1-benzyl-4-phenylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 59395182
1-benzyl-N'-hydroxy-4-phenylpiperidine-4-carboximidamide
CID 59869115
1-[4-(piperidin-1-ylmethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117485692
1-(furan-3-ylmethyl)-4-phenylpiperidine-4-carboxylic acid
CID 65072209
N-benzyl-2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]acetamide
CID 166605994
1-benzyl-N-(1-fluoropropan-2-yl)-4-phenylpiperidine-4-carboxamide
CID 166370243
1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
4-(4-chlorophenyl)-1-(3-phenylpropyl)piperidin-4-ol
CID 10892851
1-benzyl-3-(4-chlorophenyl)-3-propan-2-ylpyrrolidine
CID 171593524
1-benzyl-4-[4-(2-hydroxyethyl)phenyl]piperidin-4-ol
CID 14903438

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-chlorophenyl)piperidine-4-carbonyl chloride?
The IUPAC name of 1-benzyl-4-(4-chlorophenyl)piperidine-4-carbonyl chloride (CID 87592673) is 1-benzyl-4-(4-chlorophenyl)piperidine-4-carbonyl chloride.
What is the SMILES notation for 1-benzyl-4-(4-chlorophenyl)piperidine-4-carbonyl chloride?
The canonical SMILES for 1-benzyl-4-(4-chlorophenyl)piperidine-4-carbonyl chloride is O=C(Cl)C1(c2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(4-chlorophenyl)piperidine-4-carbonyl chloride?
The InChIKey is UUOARXCPUKAUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO/c20-17-8-6-16(7-9-17)19(18(21)23)10-12-22(13-11-19)14-15-4-2-1-3-5-15/h1-9H,10-14H2.
What are the key properties of 1-benzyl-4-(4-chlorophenyl)piperidine-4-carbonyl chloride?
1-benzyl-4-(4-chlorophenyl)piperidine-4-carbonyl chloride has a molecular weight of 348.27 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-chlorophenyl)piperidine-4-carbonyl chloride is sourced from PubChem (CID 87592673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).