4-(2,3-dichlorophenyl)-1-(2-piperidin-4-ylethyl)-3,6-dihydro-2H-pyridine

C18H24Cl2N2 — CID 141198643

IUPAC4-(2,3-dichlorophenyl)-1-(2-piperidin-4-ylethyl)-3,6-dihydro-2H-pyridine
SMILESClc1cccc(C2=CCN(CCC3CCNCC3)CC2)c1Cl
InChIInChI=1S/C18H24Cl2N2/c19-17-3-1-2-16(18(17)20)15-7-12-22(13-8-15)11-6-14-4-9-21-10-5-14/h1-3,7,14,21H,4-6,8-13H2
InChIKeyXDBIQMBWGUOFNQ-UHFFFAOYSA-N
MW339.31 g/mol
LogP4.47
Rot. Bonds4

About 4-(2,3-dichlorophenyl)-1-(2-piperidin-4-ylethyl)-3,6-dihydro-2H-pyridine

4-(2,3-dichlorophenyl)-1-(2-piperidin-4-ylethyl)-3,6-dihydro-2H-pyridine (PubChem CID 141198643) has the molecular formula C18H24Cl2N2 and a molecular weight of 339.31 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-1-(2-piperidin-4-ylethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-1-(2-piperidin-4-ylethyl)-3,6-dihydro-2H-pyridine
PubChem CID141198643
Molecular FormulaC18H24Cl2N2
Molecular Weight339.31 g/mol
Exact Mass338.13
IUPAC Name4-(2,3-dichlorophenyl)-1-(2-piperidin-4-ylethyl)-3,6-dihydro-2H-pyridine
SMILESClc1cccc(C2=CCN(CCC3CCNCC3)CC2)c1Cl
InChIInChI=1S/C18H24Cl2N2/c19-17-3-1-2-16(18(17)20)15-7-12-22(13-8-15)11-6-14-4-9-21-10-5-14/h1-3,7,14,21H,4-6,8-13H2
InChIKeyXDBIQMBWGUOFNQ-UHFFFAOYSA-N
XLogP4.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-4-(2-piperidin-4-ylethyl)piperazine
CID 68811205
4-[2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine
CID 68812522
4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexan-1-one
CID 15101112
4-methyl-1-(3-piperidin-4-ylpropyl)-3,6-dihydro-2H-pyridine
CID 114410854
1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride
CID 120663604
4-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine;hydrochloride
CID 72716656
4-phenyl-1-(2-piperidin-4-ylethyl)piperidine
CID 68767972
1-(2-piperidin-4-ylethyl)-1,4-diazepan-5-one
CID 105061114
4,4-dimethyl-1-(2-piperidin-4-ylethyl)piperidine
CID 62937944
1-[4-[2-[4-(3-aminophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidin-1-yl]propan-2-one
CID 89313324
6,7-dimethoxy-2-(2-piperidin-4-ylethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 120663402
1-cyclopropyl-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride
CID 120663613

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-1-(2-piperidin-4-ylethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(2,3-dichlorophenyl)-1-(2-piperidin-4-ylethyl)-3,6-dihydro-2H-pyridine (CID 141198643) is 4-(2,3-dichlorophenyl)-1-(2-piperidin-4-ylethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-1-(2-piperidin-4-ylethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(2,3-dichlorophenyl)-1-(2-piperidin-4-ylethyl)-3,6-dihydro-2H-pyridine is Clc1cccc(C2=CCN(CCC3CCNCC3)CC2)c1Cl.
What is the InChIKey of 4-(2,3-dichlorophenyl)-1-(2-piperidin-4-ylethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is XDBIQMBWGUOFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2/c19-17-3-1-2-16(18(17)20)15-7-12-22(13-8-15)11-6-14-4-9-21-10-5-14/h1-3,7,14,21H,4-6,8-13H2.
What are the key properties of 4-(2,3-dichlorophenyl)-1-(2-piperidin-4-ylethyl)-3,6-dihydro-2H-pyridine?
4-(2,3-dichlorophenyl)-1-(2-piperidin-4-ylethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 339.31 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-1-(2-piperidin-4-ylethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 141198643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).