3-benzyl-4-(2,3-dichlorophenyl)piperidine

C18H19Cl2N — CID 79310596

IUPAC3-benzyl-4-(2,3-dichlorophenyl)piperidine
SMILESClc1cccc(C2CCNCC2Cc2ccccc2)c1Cl
InChIInChI=1S/C18H19Cl2N/c19-17-8-4-7-16(18(17)20)15-9-10-21-12-14(15)11-13-5-2-1-3-6-13/h1-8,14-15,21H,9-12H2
InChIKeyLNFLDUFISTXILX-UHFFFAOYSA-N
MW320.26 g/mol
LogP4.93
Rot. Bonds3

About 3-benzyl-4-(2,3-dichlorophenyl)piperidine

3-benzyl-4-(2,3-dichlorophenyl)piperidine (PubChem CID 79310596) has the molecular formula C18H19Cl2N and a molecular weight of 320.26 g/mol. Its IUPAC name is 3-benzyl-4-(2,3-dichlorophenyl)piperidine.

Molecular Properties

Compound Name3-benzyl-4-(2,3-dichlorophenyl)piperidine
PubChem CID79310596
Molecular FormulaC18H19Cl2N
Molecular Weight320.26 g/mol
Exact Mass319.09
IUPAC Name3-benzyl-4-(2,3-dichlorophenyl)piperidine
SMILESClc1cccc(C2CCNCC2Cc2ccccc2)c1Cl
InChIInChI=1S/C18H19Cl2N/c19-17-8-4-7-16(18(17)20)15-9-10-21-12-14(15)11-13-5-2-1-3-6-13/h1-8,14-15,21H,9-12H2
InChIKeyLNFLDUFISTXILX-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,3-dichlorophenyl)-3-propylpiperidine
CID 79320625
3-benzyl-4-(2,6-difluorophenyl)piperidine
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3-benzyl-4-(3-bromothiophen-2-yl)piperidine
CID 115381528
3-benzyl-4-(1-methylpyrazol-4-yl)piperidine
CID 79321270
3-benzyl-4-(5-ethylthiophen-2-yl)piperidine
CID 79320981
(3R,4S)-4-benzylpiperidin-3-ol;hydrochloride
CID 171688498
3-(2,3-dichlorophenyl)piperidine
CID 24904244
3-benzyl-4-(4-bromo-5-methylthiophen-2-yl)piperidine
CID 102845451
3-benzyl-4-cycloheptylpiperidine
CID 79320588
(3R,4S)-3-benzyl-N-phenylpiperidin-4-amine
CID 110129635
3-benzyl-4-butan-2-ylpiperidine
CID 79320392
3-benzyl-4-(1-propylpyrazol-4-yl)piperidine
CID 103573550

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-(2,3-dichlorophenyl)piperidine?
The IUPAC name of 3-benzyl-4-(2,3-dichlorophenyl)piperidine (CID 79310596) is 3-benzyl-4-(2,3-dichlorophenyl)piperidine.
What is the SMILES notation for 3-benzyl-4-(2,3-dichlorophenyl)piperidine?
The canonical SMILES for 3-benzyl-4-(2,3-dichlorophenyl)piperidine is Clc1cccc(C2CCNCC2Cc2ccccc2)c1Cl.
What is the InChIKey of 3-benzyl-4-(2,3-dichlorophenyl)piperidine?
The InChIKey is LNFLDUFISTXILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N/c19-17-8-4-7-16(18(17)20)15-9-10-21-12-14(15)11-13-5-2-1-3-6-13/h1-8,14-15,21H,9-12H2.
What are the key properties of 3-benzyl-4-(2,3-dichlorophenyl)piperidine?
3-benzyl-4-(2,3-dichlorophenyl)piperidine has a molecular weight of 320.26 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-(2,3-dichlorophenyl)piperidine is sourced from PubChem (CID 79310596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).