1-benzyl-N-[2-(2,4-dichlorophenyl)ethyl]piperidin-4-amine

C20H24Cl2N2 — CID 6456370

IUPAC1-benzyl-N-[2-(2,4-dichlorophenyl)ethyl]piperidin-4-amine
SMILESClc1ccc(CCNC2CCN(Cc3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C20H24Cl2N2/c21-18-7-6-17(20(22)14-18)8-11-23-19-9-12-24(13-10-19)15-16-4-2-1-3-5-16/h1-7,14,19,23H,8-13,15H2
InChIKeyWMEXQHGRMWPOEF-UHFFFAOYSA-N
MW363.33 g/mol
LogP4.79
Rot. Bonds6

About 1-benzyl-N-[2-(2,4-dichlorophenyl)ethyl]piperidin-4-amine

1-benzyl-N-[2-(2,4-dichlorophenyl)ethyl]piperidin-4-amine (PubChem CID 6456370) has the molecular formula C20H24Cl2N2 and a molecular weight of 363.33 g/mol. Its IUPAC name is 1-benzyl-N-[2-(2,4-dichlorophenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[2-(2,4-dichlorophenyl)ethyl]piperidin-4-amine
PubChem CID6456370
Molecular FormulaC20H24Cl2N2
Molecular Weight363.33 g/mol
Exact Mass362.13
IUPAC Name1-benzyl-N-[2-(2,4-dichlorophenyl)ethyl]piperidin-4-amine
SMILESClc1ccc(CCNC2CCN(Cc3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C20H24Cl2N2/c21-18-7-6-17(20(22)14-18)8-11-23-19-9-12-24(13-10-19)15-16-4-2-1-3-5-16/h1-7,14,19,23H,8-13,15H2
InChIKeyWMEXQHGRMWPOEF-UHFFFAOYSA-N
XLogP4.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(2,4-dichlorophenyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[2-(2,4-dichlorophenyl)ethyl]piperidin-4-amine (CID 6456370) is 1-benzyl-N-[2-(2,4-dichlorophenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[2-(2,4-dichlorophenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[2-(2,4-dichlorophenyl)ethyl]piperidin-4-amine is Clc1ccc(CCNC2CCN(Cc3ccccc3)CC2)c(Cl)c1.
What is the InChIKey of 1-benzyl-N-[2-(2,4-dichlorophenyl)ethyl]piperidin-4-amine?
The InChIKey is WMEXQHGRMWPOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2/c21-18-7-6-17(20(22)14-18)8-11-23-19-9-12-24(13-10-19)15-16-4-2-1-3-5-16/h1-7,14,19,23H,8-13,15H2.
What are the key properties of 1-benzyl-N-[2-(2,4-dichlorophenyl)ethyl]piperidin-4-amine?
1-benzyl-N-[2-(2,4-dichlorophenyl)ethyl]piperidin-4-amine has a molecular weight of 363.33 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(2,4-dichlorophenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 6456370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).