1-(3-imidazol-1-ylpropyl)-4-propylpiperazine

C13H24N4 — CID 174856512

IUPAC1-(3-imidazol-1-ylpropyl)-4-propylpiperazine
SMILESCCCN1CCN(CCCn2ccnc2)CC1
InChIInChI=1S/C13H24N4/c1-2-5-15-9-11-16(12-10-15)6-3-7-17-8-4-14-13-17/h4,8,13H,2-3,5-7,9-12H2,1H3
InChIKeyKKVNOFLHJDIJAC-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.30
Rot. Bonds6

About 1-(3-imidazol-1-ylpropyl)-4-propylpiperazine

1-(3-imidazol-1-ylpropyl)-4-propylpiperazine (PubChem CID 174856512) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-4-propylpiperazine.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-4-propylpiperazine
PubChem CID174856512
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-(3-imidazol-1-ylpropyl)-4-propylpiperazine
SMILESCCCN1CCN(CCCn2ccnc2)CC1
InChIInChI=1S/C13H24N4/c1-2-5-15-9-11-16(12-10-15)6-3-7-17-8-4-14-13-17/h4,8,13H,2-3,5-7,9-12H2,1H3
InChIKeyKKVNOFLHJDIJAC-UHFFFAOYSA-N
XLogP1.30
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]pentan-1-amine
CID 63343574
2-[4-(3-imidazol-1-ylpropyl)-1,4-diazepan-1-yl]ethanamine
CID 55149857
sodium;1-butylimidazole;bromide
CID 175480877
2-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]butanethioamide
CID 63341838
1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]-N-methylethanamine
CID 63853072
1-butylimidazole;1-ethylimidazole;1-propylimidazole
CID 143151765
1-nonylimidazole;hydrobromide
CID 175434544
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148
4-(2-imidazol-1-ylethyl)-1-octadecylpiperidine;dihydrochloride
CID 23052324
(3S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-3-ol
CID 79031633
1-(2-pyrrolidin-1-ylethyl)imidazole
CID 19964498
1-butylimidazole;hydron;hexafluorophosphate
CID 174546653

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-4-propylpiperazine?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-4-propylpiperazine (CID 174856512) is 1-(3-imidazol-1-ylpropyl)-4-propylpiperazine.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-4-propylpiperazine?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-4-propylpiperazine is CCCN1CCN(CCCn2ccnc2)CC1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-4-propylpiperazine?
The InChIKey is KKVNOFLHJDIJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-2-5-15-9-11-16(12-10-15)6-3-7-17-8-4-14-13-17/h4,8,13H,2-3,5-7,9-12H2,1H3.
What are the key properties of 1-(3-imidazol-1-ylpropyl)-4-propylpiperazine?
1-(3-imidazol-1-ylpropyl)-4-propylpiperazine has a molecular weight of 236.36 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-4-propylpiperazine is sourced from PubChem (CID 174856512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).