1-pyridin-2-yl-4-(4-pyridin-3-ylbut-3-ynyl)piperazine

C18H20N4 — CID 10637409

IUPAC1-pyridin-2-yl-4-(4-pyridin-3-ylbut-3-ynyl)piperazine
SMILESC(#Cc1cccnc1)CCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H20N4/c1-3-10-20-18(8-1)22-14-12-21(13-15-22)11-4-2-6-17-7-5-9-19-16-17/h1,3,5,7-10,16H,4,11-15H2
InChIKeyAFKFISMAIMRWCI-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.04
Rot. Bonds3

About 1-pyridin-2-yl-4-(4-pyridin-3-ylbut-3-ynyl)piperazine

1-pyridin-2-yl-4-(4-pyridin-3-ylbut-3-ynyl)piperazine (PubChem CID 10637409) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-pyridin-2-yl-4-(4-pyridin-3-ylbut-3-ynyl)piperazine.

Molecular Properties

Compound Name1-pyridin-2-yl-4-(4-pyridin-3-ylbut-3-ynyl)piperazine
PubChem CID10637409
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name1-pyridin-2-yl-4-(4-pyridin-3-ylbut-3-ynyl)piperazine
SMILESC(#Cc1cccnc1)CCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H20N4/c1-3-10-20-18(8-1)22-14-12-21(13-15-22)11-4-2-6-17-7-5-9-19-16-17/h1,3,5,7-10,16H,4,11-15H2
InChIKeyAFKFISMAIMRWCI-UHFFFAOYSA-N
XLogP2.04
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Tripelennamine
CID 5587
Mirtazapine
CID 4205
Tripelennamine Hydrochloride
CID 9066
Jnj-17203212
CID 11339118
WZ 811
CID 11565518
(-)-Mirtazapine
CID 3085219
2-(Piperazin-1-yl)pyridine-3-carbonitrile
CID 2737203
1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 2777786
Esmirtazapine
CID 3085218
5-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-ynyl]-pyridin-2-ylamine
CID 10357631
1-(2-Phenethyl)-4-(2-pyridyl)piperazine
CID 11000026
1,6-Bis(4-(pyridin-2-yl)piperazin-1-yl)hexane
CID 11524350

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-4-(4-pyridin-3-ylbut-3-ynyl)piperazine?
The IUPAC name of 1-pyridin-2-yl-4-(4-pyridin-3-ylbut-3-ynyl)piperazine (CID 10637409) is 1-pyridin-2-yl-4-(4-pyridin-3-ylbut-3-ynyl)piperazine.
What is the SMILES notation for 1-pyridin-2-yl-4-(4-pyridin-3-ylbut-3-ynyl)piperazine?
The canonical SMILES for 1-pyridin-2-yl-4-(4-pyridin-3-ylbut-3-ynyl)piperazine is C(#Cc1cccnc1)CCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-pyridin-2-yl-4-(4-pyridin-3-ylbut-3-ynyl)piperazine?
The InChIKey is AFKFISMAIMRWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-3-10-20-18(8-1)22-14-12-21(13-15-22)11-4-2-6-17-7-5-9-19-16-17/h1,3,5,7-10,16H,4,11-15H2.
What are the key properties of 1-pyridin-2-yl-4-(4-pyridin-3-ylbut-3-ynyl)piperazine?
1-pyridin-2-yl-4-(4-pyridin-3-ylbut-3-ynyl)piperazine has a molecular weight of 292.39 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-4-(4-pyridin-3-ylbut-3-ynyl)piperazine is sourced from PubChem (CID 10637409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).