1-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine

C24H25BrClN3 — CID 12875603

IUPAC1-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESClc1ccccc1C(c1ccc(Br)cc1)N1CCC(NCc2ccccn2)CC1
InChIInChI=1S/C24H25BrClN3/c25-19-10-8-18(9-11-19)24(22-6-1-2-7-23(22)26)29-15-12-20(13-16-29)28-17-21-5-3-4-14-27-21/h1-11,14,20,24,28H,12-13,15-17H2
InChIKeyUHYUPAZNCNPYEC-UHFFFAOYSA-N
MW470.84 g/mol
LogP5.84
Rot. Bonds6

About 1-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine

1-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine (PubChem CID 12875603) has the molecular formula C24H25BrClN3 and a molecular weight of 470.84 g/mol. Its IUPAC name is 1-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine
PubChem CID12875603
Molecular FormulaC24H25BrClN3
Molecular Weight470.84 g/mol
Exact Mass469.09
IUPAC Name1-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESClc1ccccc1C(c1ccc(Br)cc1)N1CCC(NCc2ccccn2)CC1
InChIInChI=1S/C24H25BrClN3/c25-19-10-8-18(9-11-19)24(22-6-1-2-7-23(22)26)29-15-12-20(13-16-29)28-17-21-5-3-4-14-27-21/h1-11,14,20,24,28H,12-13,15-17H2
InChIKeyUHYUPAZNCNPYEC-UHFFFAOYSA-N
XLogP5.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.84
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine (CID 12875603) is 1-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine is Clc1ccccc1C(c1ccc(Br)cc1)N1CCC(NCc2ccccn2)CC1.
What is the InChIKey of 1-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine?
The InChIKey is UHYUPAZNCNPYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrClN3/c25-19-10-8-18(9-11-19)24(22-6-1-2-7-23(22)26)29-15-12-20(13-16-29)28-17-21-5-3-4-14-27-21/h1-11,14,20,24,28H,12-13,15-17H2.
What are the key properties of 1-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine?
1-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine has a molecular weight of 470.84 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)-(2-chlorophenyl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 12875603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).