1-pyridin-4-ylpiperazin-4-ium

C9H14N3+ — CID 143123002

IUPAC1-pyridin-4-ylpiperazin-4-ium
SMILESc1cc(N2CC[NH2+]CC2)ccn1
InChIInChI=1S/C9H13N3/c1-3-10-4-2-9(1)12-7-5-11-6-8-12/h1-4,11H,5-8H2/p+1
InChIKeyOQZBAQXTXNIPRA-UHFFFAOYSA-O
MW164.23 g/mol
LogP-0.54
Rot. Bonds1

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

1-pyridin-4-ylpiperazin-4-ium (PubChem CID 143123002) has the molecular formula C9H14N3+ and a molecular weight of 164.23 g/mol. Its IUPAC name is 1-pyridin-4-ylpiperazin-4-ium.

Molecular Properties

Compound Name1-pyridin-4-ylpiperazin-4-ium
PubChem CID143123002
Molecular FormulaC9H14N3+
Molecular Weight164.23 g/mol
Exact Mass164.12
IUPAC Name1-pyridin-4-ylpiperazin-4-ium
SMILESc1cc(N2CC[NH2+]CC2)ccn1
InChIInChI=1S/C9H13N3/c1-3-10-4-2-9(1)12-7-5-11-6-8-12/h1-4,11H,5-8H2/p+1
InChIKeyOQZBAQXTXNIPRA-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

4-pyrrolidin-1-ylpyridine
CID 158456628
1-pyridin-1-ium-4-ylpiperazin-4-ium dichloride
CID 172704458
4-piperazin-4-ium-1-ylaniline
CID 4608381
1-pyridin-4-ylpiperidine-4-thiol
CID 153166689
disilver;tetrakis(4-pyrrolidin-1-ylpyridine);diperchlorate
CID 139201601
(4-piperazin-4-ium-1-ylphenyl)-pyridin-3-ylmethanone
CID 7085497
1-(2-chloro-4-pyridinyl)-4-pyridin-4-ylpiperazine
CID 133373099
2-(4-pyridin-4-ylpiperazin-1-yl)ethanamine
CID 18440675
N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methanesulfonamide
CID 15735407
N-(cyclopropylmethyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166652
1-pentan-3-yl-4-pyridin-4-ylpiperazine
CID 20735179
4-(4-pyridin-4-ylphenyl)morpholine
CID 91005781

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-ylpiperazin-4-ium?
The IUPAC name of 1-pyridin-4-ylpiperazin-4-ium (CID 143123002) is 1-pyridin-4-ylpiperazin-4-ium.
What is the SMILES notation for 1-pyridin-4-ylpiperazin-4-ium?
The canonical SMILES for 1-pyridin-4-ylpiperazin-4-ium is c1cc(N2CC[NH2+]CC2)ccn1.
What is the InChIKey of 1-pyridin-4-ylpiperazin-4-ium?
The InChIKey is OQZBAQXTXNIPRA-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H13N3/c1-3-10-4-2-9(1)12-7-5-11-6-8-12/h1-4,11H,5-8H2/p+1.
What are the key properties of 1-pyridin-4-ylpiperazin-4-ium?
1-pyridin-4-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-4-ylpiperazin-4-ium is sourced from PubChem (CID 143123002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).