1-pyridin-2-ylpiperazin-4-ium

C9H14N3+ — CID 3992659

IUPAC1-pyridin-2-ylpiperazin-4-ium
SMILESc1ccc(N2CC[NH2+]CC2)nc1
InChIInChI=1S/C9H13N3/c1-2-4-11-9(3-1)12-7-5-10-6-8-12/h1-4,10H,5-8H2/p+1
InChIKeyGZRKXKUVVPSREJ-UHFFFAOYSA-O
MW164.23 g/mol
LogP-0.54
Rot. Bonds1

About 1-pyridin-2-ylpiperazin-4-ium

1-pyridin-2-ylpiperazin-4-ium (PubChem CID 3992659) has the molecular formula C9H14N3+ and a molecular weight of 164.23 g/mol. Its IUPAC name is 1-pyridin-2-ylpiperazin-4-ium.

Molecular Properties

Compound Name1-pyridin-2-ylpiperazin-4-ium
PubChem CID3992659
Molecular FormulaC9H14N3+
Molecular Weight164.23 g/mol
Exact Mass164.12
IUPAC Name1-pyridin-2-ylpiperazin-4-ium
SMILESc1ccc(N2CC[NH2+]CC2)nc1
InChIInChI=1S/C9H13N3/c1-2-4-11-9(3-1)12-7-5-10-6-8-12/h1-4,10H,5-8H2/p+1
InChIKeyGZRKXKUVVPSREJ-UHFFFAOYSA-O
XLogP-0.54
TPSA32.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
2-(4-methylidenepiperidin-1-yl)pyridine
CID 23544056
1-(6-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 133313241
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride
CID 135186029
1-methoxy-4-pyridin-2-ylpiperazine
CID 59857720
1-pyridin-2-yl-4-(2,3,4-trifluorophenyl)piperazine
CID 110454799
1-methyl-4-pyridin-2-yl-1,4-diazepane
CID 11790022
1-pyridin-1-ium-1-yl-4-pyridin-2-ylpiperazine
CID 123973526
4-pyridin-2-ylpiperazine-1-sulfonic acid
CID 142758233
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylpiperazin-4-ium?
The IUPAC name of 1-pyridin-2-ylpiperazin-4-ium (CID 3992659) is 1-pyridin-2-ylpiperazin-4-ium.
What is the SMILES notation for 1-pyridin-2-ylpiperazin-4-ium?
The canonical SMILES for 1-pyridin-2-ylpiperazin-4-ium is c1ccc(N2CC[NH2+]CC2)nc1.
What is the InChIKey of 1-pyridin-2-ylpiperazin-4-ium?
The InChIKey is GZRKXKUVVPSREJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H13N3/c1-2-4-11-9(3-1)12-7-5-10-6-8-12/h1-4,10H,5-8H2/p+1.
What are the key properties of 1-pyridin-2-ylpiperazin-4-ium?
1-pyridin-2-ylpiperazin-4-ium has a molecular weight of 164.23 g/mol, XLogP of -0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylpiperazin-4-ium is sourced from PubChem (CID 3992659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).