1-[(2-bromophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride

C16H19BrClN3 — CID 120910651

IUPAC1-[(2-bromophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
SMILESBrc1ccccc1CN1CCNCC1c1ccncc1.Cl
InChIInChI=1S/C16H18BrN3.ClH/c17-15-4-2-1-3-14(15)12-20-10-9-19-11-16(20)13-5-7-18-8-6-13;/h1-8,16,19H,9-12H2;1H
InChIKeyRASPNTRJBIFHKV-UHFFFAOYSA-N
MW368.71 g/mol
LogP3.41
Rot. Bonds3

About 1-[(2-bromophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride

1-[(2-bromophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride (PubChem CID 120910651) has the molecular formula C16H19BrClN3 and a molecular weight of 368.71 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
PubChem CID120910651
Molecular FormulaC16H19BrClN3
Molecular Weight368.71 g/mol
Exact Mass367.05
IUPAC Name1-[(2-bromophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
SMILESBrc1ccccc1CN1CCNCC1c1ccncc1.Cl
InChIInChI=1S/C16H18BrN3.ClH/c17-15-4-2-1-3-14(15)12-20-10-9-19-11-16(20)13-5-7-18-8-6-13;/h1-8,16,19H,9-12H2;1H
InChIKeyRASPNTRJBIFHKV-UHFFFAOYSA-N
XLogP3.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.71
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-bromophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755094
1-[(2,3-dichlorophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910755
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910473
1-[(3-chloro-2-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120909906
1-(1-benzofuran-3-ylmethyl)-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910679
1-[(5-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910009
1-[(4-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910228
1-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpiperazine
CID 120910371
8-[(2-phenylpiperazin-1-yl)methyl]isoquinoline
CID 166267423
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910164
5-bromo-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910696
3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride
CID 120910881

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
The IUPAC name of 1-[(2-bromophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride (CID 120910651) is 1-[(2-bromophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride is Brc1ccccc1CN1CCNCC1c1ccncc1.Cl.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
The InChIKey is RASPNTRJBIFHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3.ClH/c17-15-4-2-1-3-14(15)12-20-10-9-19-11-16(20)13-5-7-18-8-6-13;/h1-8,16,19H,9-12H2;1H.
What are the key properties of 1-[(2-bromophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
1-[(2-bromophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride has a molecular weight of 368.71 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride is sourced from PubChem (CID 120910651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).