3-(4-benzylpiperazin-1-yl)propanimidamide

C14H22N4 — CID 24689819

IUPAC3-(4-benzylpiperazin-1-yl)propanimidamide
SMILES[H]/N=C(\N)CCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H22N4/c15-14(16)6-7-17-8-10-18(11-9-17)12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H3,15,16)
InChIKeyTWJWHOUKYDISQR-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.13
Rot. Bonds5

About 3-(4-benzylpiperazin-1-yl)propanimidamide

3-(4-benzylpiperazin-1-yl)propanimidamide (PubChem CID 24689819) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)propanimidamide.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)propanimidamide
PubChem CID24689819
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name3-(4-benzylpiperazin-1-yl)propanimidamide
SMILES[H]/N=C(\N)CCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H22N4/c15-14(16)6-7-17-8-10-18(11-9-17)12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H3,15,16)
InChIKeyTWJWHOUKYDISQR-UHFFFAOYSA-N
XLogP1.13
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.13
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-(2-chlorophenyl)piperazin-1-yl]propanimidamide
CID 43118133
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
4-(4-benzylpiperazin-1-yl)butan-2-one;ethane
CID 91431275
5-(4-benzylpiperazin-1-yl)-N'-hydroxypentanimidamide
CID 76905955
3-(4-benzyl-1,4-diazepan-1-yl)-N-carbamoylpropanamide
CID 134033685
1-benzyl-4-methylpiperidine-4-carboximidamide
CID 107162081
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
(4-benzylpiperazin-1-yl)-cyclohexylmethanimine
CID 63178264
2-(4-benzylpiperazin-1-yl)ethyl-methylidyneazanium
CID 23912288
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide
CID 34947002
bis(copper(1+));bis(hexafluoroantimony(1-));hydrogen peroxide;bis(1,4,7-tribenzyl-1,4,7-triazonane)
CID 16687390

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)propanimidamide?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)propanimidamide (CID 24689819) is 3-(4-benzylpiperazin-1-yl)propanimidamide.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)propanimidamide?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)propanimidamide is [H]/N=C(\N)CCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)propanimidamide?
The InChIKey is TWJWHOUKYDISQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c15-14(16)6-7-17-8-10-18(11-9-17)12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H3,15,16).
What are the key properties of 3-(4-benzylpiperazin-1-yl)propanimidamide?
3-(4-benzylpiperazin-1-yl)propanimidamide has a molecular weight of 246.36 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)propanimidamide is sourced from PubChem (CID 24689819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).