3-(4-propylpiperazin-1-yl)pentanimidamide

C12H26N4 — CID 43368022

IUPAC3-(4-propylpiperazin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCN(CCC)CC1
InChIInChI=1S/C12H26N4/c1-3-5-15-6-8-16(9-7-15)11(4-2)10-12(13)14/h11H,3-10H2,1-2H3,(H3,13,14)
InChIKeyREVJXZORZLNXES-UHFFFAOYSA-N
MW226.37 g/mol
LogP1.12
Rot. Bonds6

About 3-(4-propylpiperazin-1-yl)pentanimidamide

3-(4-propylpiperazin-1-yl)pentanimidamide (PubChem CID 43368022) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 3-(4-propylpiperazin-1-yl)pentanimidamide.

Molecular Properties

Compound Name3-(4-propylpiperazin-1-yl)pentanimidamide
PubChem CID43368022
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name3-(4-propylpiperazin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCN(CCC)CC1
InChIInChI=1S/C12H26N4/c1-3-5-15-6-8-16(9-7-15)11(4-2)10-12(13)14/h11H,3-10H2,1-2H3,(H3,13,14)
InChIKeyREVJXZORZLNXES-UHFFFAOYSA-N
XLogP1.12
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-3-(4-propylpiperazin-1-yl)propanimidamide
CID 62780083
3-(3,4-dihydroxypyrrolidin-1-yl)pentanimidamide
CID 106669793
3-(4-ethyl-4-methylpiperidin-1-yl)pentanimidamide
CID 63158707
4-(4-propylpiperazin-1-yl)butanimidamide
CID 24694384
3-(4-piperidin-1-ylpiperidin-1-yl)pentanimidamide
CID 61242438
3-(4-ethylpiperazin-1-yl)butanimidamide
CID 60914884
3-(3-hydroxypyrrolidin-1-yl)pentanimidamide
CID 62943568
4-propylpiperazine-1-carboximidamide
CID 18176782
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide
CID 66392705
3-[3-(dimethylamino)pyrrolidin-1-yl]pentanimidamide
CID 63163878
2-methyl-3-(4-propylpiperazin-1-yl)propanimidamide
CID 43175069
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pentanimidamide
CID 43620437

Frequently Asked Questions

What is the IUPAC name of 3-(4-propylpiperazin-1-yl)pentanimidamide?
The IUPAC name of 3-(4-propylpiperazin-1-yl)pentanimidamide (CID 43368022) is 3-(4-propylpiperazin-1-yl)pentanimidamide.
What is the SMILES notation for 3-(4-propylpiperazin-1-yl)pentanimidamide?
The canonical SMILES for 3-(4-propylpiperazin-1-yl)pentanimidamide is [H]/N=C(\N)CC(CC)N1CCN(CCC)CC1.
What is the InChIKey of 3-(4-propylpiperazin-1-yl)pentanimidamide?
The InChIKey is REVJXZORZLNXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-3-5-15-6-8-16(9-7-15)11(4-2)10-12(13)14/h11H,3-10H2,1-2H3,(H3,13,14).
What are the key properties of 3-(4-propylpiperazin-1-yl)pentanimidamide?
3-(4-propylpiperazin-1-yl)pentanimidamide has a molecular weight of 226.37 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propylpiperazin-1-yl)pentanimidamide is sourced from PubChem (CID 43368022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).