5-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)-N-methylpentan-1-amine

C24H32Cl2N2 — CID 70196534

IUPAC5-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)-N-methylpentan-1-amine
SMILESCNCCC(CCN1CCC(Cc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H32Cl2N2/c1-27-13-9-21(22-7-8-23(25)24(26)18-22)12-16-28-14-10-20(11-15-28)17-19-5-3-2-4-6-19/h2-8,18,20-21,27H,9-17H2,1H3
InChIKeyFJESNKDSOQGEPZ-UHFFFAOYSA-N
MW419.44 g/mol
LogP6.03
Rot. Bonds9

About 5-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)-N-methylpentan-1-amine

5-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)-N-methylpentan-1-amine (PubChem CID 70196534) has the molecular formula C24H32Cl2N2 and a molecular weight of 419.44 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)-N-methylpentan-1-amine
PubChem CID70196534
Molecular FormulaC24H32Cl2N2
Molecular Weight419.44 g/mol
Exact Mass418.19
IUPAC Name5-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)-N-methylpentan-1-amine
SMILESCNCCC(CCN1CCC(Cc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H32Cl2N2/c1-27-13-9-21(22-7-8-23(25)24(26)18-22)12-16-28-14-10-20(11-15-28)17-19-5-3-2-4-6-19/h2-8,18,20-21,27H,9-17H2,1H3
InChIKeyFJESNKDSOQGEPZ-UHFFFAOYSA-N
XLogP6.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.44
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)-N-methylpentan-1-amine?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)-N-methylpentan-1-amine (CID 70196534) is 5-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)-N-methylpentan-1-amine.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)-N-methylpentan-1-amine?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)-N-methylpentan-1-amine is CNCCC(CCN1CCC(Cc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)-N-methylpentan-1-amine?
The InChIKey is FJESNKDSOQGEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32Cl2N2/c1-27-13-9-21(22-7-8-23(25)24(26)18-22)12-16-28-14-10-20(11-15-28)17-19-5-3-2-4-6-19/h2-8,18,20-21,27H,9-17H2,1H3.
What are the key properties of 5-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)-N-methylpentan-1-amine?
5-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)-N-methylpentan-1-amine has a molecular weight of 419.44 g/mol, XLogP of 6.03, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)-N-methylpentan-1-amine is sourced from PubChem (CID 70196534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).