3-phenyl-3-(4-propylpiperazin-1-yl)propanimidamide

C16H26N4 — CID 62780083

IUPAC3-phenyl-3-(4-propylpiperazin-1-yl)propanimidamide
SMILES[H]/N=C(\N)CC(c1ccccc1)N1CCN(CCC)CC1
InChIInChI=1S/C16H26N4/c1-2-8-19-9-11-20(12-10-19)15(13-16(17)18)14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H3,17,18)
InChIKeyZQCBDBZRVPFBRT-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.08
Rot. Bonds6

About 3-phenyl-3-(4-propylpiperazin-1-yl)propanimidamide

3-phenyl-3-(4-propylpiperazin-1-yl)propanimidamide (PubChem CID 62780083) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-phenyl-3-(4-propylpiperazin-1-yl)propanimidamide.

Molecular Properties

Compound Name3-phenyl-3-(4-propylpiperazin-1-yl)propanimidamide
PubChem CID62780083
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name3-phenyl-3-(4-propylpiperazin-1-yl)propanimidamide
SMILES[H]/N=C(\N)CC(c1ccccc1)N1CCN(CCC)CC1
InChIInChI=1S/C16H26N4/c1-2-8-19-9-11-20(12-10-19)15(13-16(17)18)14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H3,17,18)
InChIKeyZQCBDBZRVPFBRT-UHFFFAOYSA-N
XLogP2.08
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.08
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-(4-methylpiperazin-1-yl)-3-phenylpropanimidamide
CID 55117254
3-(3-ethyl-4-methylpiperazin-1-yl)-3-phenylpropanimidamide
CID 63610075
3-(4-propylpiperazin-1-yl)pentanimidamide
CID 43368022
3-(4-methoxypiperidin-1-yl)-3-phenylpropanimidamide
CID 62780437
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-phenylpropanimidamide
CID 115560125
3-phenyl-3-pyrazol-1-ylpropanimidamide
CID 62778282
2-[1-(4-propylpiperazin-1-yl)propyl]phenol
CID 82975217
4-(4-propylpiperazin-1-yl)butanimidamide
CID 24694384
3-phenylbutanimidamide;hydrochloride
CID 69158161
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane
CID 144798702
1-butyl-4-(1,3-diphenylpropyl)piperazine
CID 67570000
3-(4-methyl-1,4-diazepan-1-yl)-3-phenylpropanethioamide
CID 62778289

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-(4-propylpiperazin-1-yl)propanimidamide?
The IUPAC name of 3-phenyl-3-(4-propylpiperazin-1-yl)propanimidamide (CID 62780083) is 3-phenyl-3-(4-propylpiperazin-1-yl)propanimidamide.
What is the SMILES notation for 3-phenyl-3-(4-propylpiperazin-1-yl)propanimidamide?
The canonical SMILES for 3-phenyl-3-(4-propylpiperazin-1-yl)propanimidamide is [H]/N=C(\N)CC(c1ccccc1)N1CCN(CCC)CC1.
What is the InChIKey of 3-phenyl-3-(4-propylpiperazin-1-yl)propanimidamide?
The InChIKey is ZQCBDBZRVPFBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-2-8-19-9-11-20(12-10-19)15(13-16(17)18)14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H3,17,18).
What are the key properties of 3-phenyl-3-(4-propylpiperazin-1-yl)propanimidamide?
3-phenyl-3-(4-propylpiperazin-1-yl)propanimidamide has a molecular weight of 274.41 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-(4-propylpiperazin-1-yl)propanimidamide is sourced from PubChem (CID 62780083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).