N-(3-bromophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine

C19H22BrFN2 — CID 22037958

IUPACN-(3-bromophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine
SMILESFc1ccc(CCN2CCC(Nc3cccc(Br)c3)CC2)cc1
InChIInChI=1S/C19H22BrFN2/c20-16-2-1-3-19(14-16)22-18-9-12-23(13-10-18)11-8-15-4-6-17(21)7-5-15/h1-7,14,18,22H,8-13H2
InChIKeyZJOZZERXMSKLPM-UHFFFAOYSA-N
MW377.30 g/mol
LogP4.71
Rot. Bonds5

About N-(3-bromophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine

N-(3-bromophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine (PubChem CID 22037958) has the molecular formula C19H22BrFN2 and a molecular weight of 377.30 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine
PubChem CID22037958
Molecular FormulaC19H22BrFN2
Molecular Weight377.30 g/mol
Exact Mass376.10
IUPAC NameN-(3-bromophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine
SMILESFc1ccc(CCN2CCC(Nc3cccc(Br)c3)CC2)cc1
InChIInChI=1S/C19H22BrFN2/c20-16-2-1-3-19(14-16)22-18-9-12-23(13-10-18)11-8-15-4-6-17(21)7-5-15/h1-7,14,18,22H,8-13H2
InChIKeyZJOZZERXMSKLPM-UHFFFAOYSA-N
XLogP4.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine?
The IUPAC name of N-(3-bromophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine (CID 22037958) is N-(3-bromophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine is Fc1ccc(CCN2CCC(Nc3cccc(Br)c3)CC2)cc1.
What is the InChIKey of N-(3-bromophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine?
The InChIKey is ZJOZZERXMSKLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrFN2/c20-16-2-1-3-19(14-16)22-18-9-12-23(13-10-18)11-8-15-4-6-17(21)7-5-15/h1-7,14,18,22H,8-13H2.
What are the key properties of N-(3-bromophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine?
N-(3-bromophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine has a molecular weight of 377.30 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 22037958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).