5-[4-[(4-bromophenyl)methyl]piperazin-1-yl]pyridin-2-amine

C16H19BrN4 — CID 43461948

IUPAC5-[4-[(4-bromophenyl)methyl]piperazin-1-yl]pyridin-2-amine
SMILESNc1ccc(N2CCN(Cc3ccc(Br)cc3)CC2)cn1
InChIInChI=1S/C16H19BrN4/c17-14-3-1-13(2-4-14)12-20-7-9-21(10-8-20)15-5-6-16(18)19-11-15/h1-6,11H,7-10,12H2,(H2,18,19)
InChIKeyHWAHULFSEBHZBG-UHFFFAOYSA-N
MW347.26 g/mol
LogP2.75
Rot. Bonds3

About 5-[4-[(4-bromophenyl)methyl]piperazin-1-yl]pyridin-2-amine

5-[4-[(4-bromophenyl)methyl]piperazin-1-yl]pyridin-2-amine (PubChem CID 43461948) has the molecular formula C16H19BrN4 and a molecular weight of 347.26 g/mol. Its IUPAC name is 5-[4-[(4-bromophenyl)methyl]piperazin-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-[(4-bromophenyl)methyl]piperazin-1-yl]pyridin-2-amine
PubChem CID43461948
Molecular FormulaC16H19BrN4
Molecular Weight347.26 g/mol
Exact Mass346.08
IUPAC Name5-[4-[(4-bromophenyl)methyl]piperazin-1-yl]pyridin-2-amine
SMILESNc1ccc(N2CCN(Cc3ccc(Br)cc3)CC2)cn1
InChIInChI=1S/C16H19BrN4/c17-14-3-1-13(2-4-14)12-20-7-9-21(10-8-20)15-5-6-16(18)19-11-15/h1-6,11H,7-10,12H2,(H2,18,19)
InChIKeyHWAHULFSEBHZBG-UHFFFAOYSA-N
XLogP2.75
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridin-2-amine
CID 62127280
5-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]pyridin-2-amine
CID 62698240
1,4,7,10-tetrakis[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 71732809
2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]acetonitrile
CID 43461956
5-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-2-amine
CID 43318150
5-[4-(2-methoxyethyl)piperazin-1-yl]pyridin-2-amine
CID 43461954
6-[4-(6-amino-3-pyridinyl)piperazin-1-yl]hexan-1-ol
CID 107704033
5-[4-(2-methylbutyl)piperazin-1-yl]pyridin-2-amine
CID 62104206
5-[4-[2-(1-methylpyrazol-4-yl)ethyl]piperazin-1-yl]pyridin-2-amine
CID 103003357
5-(azepan-1-yl)pyridin-2-amine;dihydrochloride
CID 75537462
[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]hydrazine
CID 82055072
2-[4-[(6-amino-3-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 55046739

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-bromophenyl)methyl]piperazin-1-yl]pyridin-2-amine?
The IUPAC name of 5-[4-[(4-bromophenyl)methyl]piperazin-1-yl]pyridin-2-amine (CID 43461948) is 5-[4-[(4-bromophenyl)methyl]piperazin-1-yl]pyridin-2-amine.
What is the SMILES notation for 5-[4-[(4-bromophenyl)methyl]piperazin-1-yl]pyridin-2-amine?
The canonical SMILES for 5-[4-[(4-bromophenyl)methyl]piperazin-1-yl]pyridin-2-amine is Nc1ccc(N2CCN(Cc3ccc(Br)cc3)CC2)cn1.
What is the InChIKey of 5-[4-[(4-bromophenyl)methyl]piperazin-1-yl]pyridin-2-amine?
The InChIKey is HWAHULFSEBHZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4/c17-14-3-1-13(2-4-14)12-20-7-9-21(10-8-20)15-5-6-16(18)19-11-15/h1-6,11H,7-10,12H2,(H2,18,19).
What are the key properties of 5-[4-[(4-bromophenyl)methyl]piperazin-1-yl]pyridin-2-amine?
5-[4-[(4-bromophenyl)methyl]piperazin-1-yl]pyridin-2-amine has a molecular weight of 347.26 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-bromophenyl)methyl]piperazin-1-yl]pyridin-2-amine is sourced from PubChem (CID 43461948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).