1-[(4-bromophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine

C17H20BrN3 — CID 751073

IUPAC1-[(4-bromophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
SMILESBrc1ccc(CN2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C17H20BrN3/c18-16-6-4-15(5-7-16)13-20-9-11-21(12-10-20)14-17-3-1-2-8-19-17/h1-8H,9-14H2
InChIKeyCKIYIAMDUUCBGO-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.16
Rot. Bonds4

About 1-[(4-bromophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine

1-[(4-bromophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine (PubChem CID 751073) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
PubChem CID751073
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC Name1-[(4-bromophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
SMILESBrc1ccc(CN2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C17H20BrN3/c18-16-6-4-15(5-7-16)13-20-9-11-21(12-10-20)14-17-3-1-2-8-19-17/h1-8H,9-14H2
InChIKeyCKIYIAMDUUCBGO-UHFFFAOYSA-N
XLogP3.16
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine (CID 751073) is 1-[(4-bromophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine is Brc1ccc(CN2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine?
The InChIKey is CKIYIAMDUUCBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c18-16-6-4-15(5-7-16)13-20-9-11-21(12-10-20)14-17-3-1-2-8-19-17/h1-8H,9-14H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine?
1-[(4-bromophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine has a molecular weight of 346.27 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine is sourced from PubChem (CID 751073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).