N-(4-bromophenyl)-1-(2-phenylethyl)piperidin-4-amine

C19H23BrN2 — CID 162623974

IUPACN-(4-bromophenyl)-1-(2-phenylethyl)piperidin-4-amine
SMILESBrc1ccc(NC2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C19H23BrN2/c20-17-6-8-18(9-7-17)21-19-11-14-22(15-12-19)13-10-16-4-2-1-3-5-16/h1-9,19,21H,10-15H2
InChIKeyPHWAYZMUFKPAIM-UHFFFAOYSA-N
MW359.31 g/mol
LogP4.57
Rot. Bonds5

About N-(4-bromophenyl)-1-(2-phenylethyl)piperidin-4-amine

N-(4-bromophenyl)-1-(2-phenylethyl)piperidin-4-amine (PubChem CID 162623974) has the molecular formula C19H23BrN2 and a molecular weight of 359.31 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(2-phenylethyl)piperidin-4-amine
PubChem CID162623974
Molecular FormulaC19H23BrN2
Molecular Weight359.31 g/mol
Exact Mass358.10
IUPAC NameN-(4-bromophenyl)-1-(2-phenylethyl)piperidin-4-amine
SMILESBrc1ccc(NC2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C19H23BrN2/c20-17-6-8-18(9-7-17)21-19-11-14-22(15-12-19)13-10-16-4-2-1-3-5-16/h1-9,19,21H,10-15H2
InChIKeyPHWAYZMUFKPAIM-UHFFFAOYSA-N
XLogP4.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of N-(4-bromophenyl)-1-(2-phenylethyl)piperidin-4-amine (CID 162623974) is N-(4-bromophenyl)-1-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for N-(4-bromophenyl)-1-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for N-(4-bromophenyl)-1-(2-phenylethyl)piperidin-4-amine is Brc1ccc(NC2CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-bromophenyl)-1-(2-phenylethyl)piperidin-4-amine?
The InChIKey is PHWAYZMUFKPAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2/c20-17-6-8-18(9-7-17)21-19-11-14-22(15-12-19)13-10-16-4-2-1-3-5-16/h1-9,19,21H,10-15H2.
What are the key properties of N-(4-bromophenyl)-1-(2-phenylethyl)piperidin-4-amine?
N-(4-bromophenyl)-1-(2-phenylethyl)piperidin-4-amine has a molecular weight of 359.31 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 162623974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).