2-(4-propylpiperazin-1-yl)-1,3-diazacyclohepta-1,3,5,6-tetraene

C12H18N4 — CID 143024297

IUPAC2-(4-propylpiperazin-1-yl)-1,3-diazacyclohepta-1,3,5,6-tetraene
SMILESCCCN1CCN(C2=NC=C=CC=N2)CC1
InChIInChI=1S/C12H18N4/c1-2-7-15-8-10-16(11-9-15)12-13-5-3-4-6-14-12/h3,5-6H,2,7-11H2,1H3
InChIKeyRVJNHKJIHKRVIX-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.12
Rot. Bonds2

About 2-(4-propylpiperazin-1-yl)-1,3-diazacyclohepta-1,3,5,6-tetraene

2-(4-propylpiperazin-1-yl)-1,3-diazacyclohepta-1,3,5,6-tetraene (PubChem CID 143024297) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(4-propylpiperazin-1-yl)-1,3-diazacyclohepta-1,3,5,6-tetraene.

Molecular Properties

Compound Name2-(4-propylpiperazin-1-yl)-1,3-diazacyclohepta-1,3,5,6-tetraene
PubChem CID143024297
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-(4-propylpiperazin-1-yl)-1,3-diazacyclohepta-1,3,5,6-tetraene
SMILESCCCN1CCN(C2=NC=C=CC=N2)CC1
InChIInChI=1S/C12H18N4/c1-2-7-15-8-10-16(11-9-15)12-13-5-3-4-6-14-12/h3,5-6H,2,7-11H2,1H3
InChIKeyRVJNHKJIHKRVIX-UHFFFAOYSA-N
XLogP1.12
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-(4-methylpiperazin-1-yl)-5H-1,3-diazepine
CID 141949903
2-(4-methylpiperazin-1-yl)-4H-1,3-diazepine
CID 142128668
(NZ)-N',4-dimethyl-N-prop-2-enylidenepiperazine-1-carboximidamide
CID 144110398
(NZ)-N',4-dimethyl-N-prop-2-enylidenepiperazine-1-carboximidamide;ethane
CID 169104162
2-(4-methylpiperazin-1-yl)-5H-1,3-diazepine
CID 141949904

Frequently Asked Questions

What is the IUPAC name of 2-(4-propylpiperazin-1-yl)-1,3-diazacyclohepta-1,3,5,6-tetraene?
The IUPAC name of 2-(4-propylpiperazin-1-yl)-1,3-diazacyclohepta-1,3,5,6-tetraene (CID 143024297) is 2-(4-propylpiperazin-1-yl)-1,3-diazacyclohepta-1,3,5,6-tetraene.
What is the SMILES notation for 2-(4-propylpiperazin-1-yl)-1,3-diazacyclohepta-1,3,5,6-tetraene?
The canonical SMILES for 2-(4-propylpiperazin-1-yl)-1,3-diazacyclohepta-1,3,5,6-tetraene is CCCN1CCN(C2=NC=C=CC=N2)CC1.
What is the InChIKey of 2-(4-propylpiperazin-1-yl)-1,3-diazacyclohepta-1,3,5,6-tetraene?
The InChIKey is RVJNHKJIHKRVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-2-7-15-8-10-16(11-9-15)12-13-5-3-4-6-14-12/h3,5-6H,2,7-11H2,1H3.
What are the key properties of 2-(4-propylpiperazin-1-yl)-1,3-diazacyclohepta-1,3,5,6-tetraene?
2-(4-propylpiperazin-1-yl)-1,3-diazacyclohepta-1,3,5,6-tetraene has a molecular weight of 218.30 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylpiperazin-1-yl)-1,3-diazacyclohepta-1,3,5,6-tetraene is sourced from PubChem (CID 143024297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).