N-amino-N'-butyl-4-phenylpiperazine-1-carboximidamide

C15H25N5 — CID 116512916

IUPACN-amino-N'-butyl-4-phenylpiperazine-1-carboximidamide
SMILESCCCC/N=C(\NN)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H25N5/c1-2-3-9-17-15(18-16)20-12-10-19(11-13-20)14-7-5-4-6-8-14/h4-8H,2-3,9-13,16H2,1H3,(H,17,18)
InChIKeyNBOLRKCDDXKYIR-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.43
Rot. Bonds4

About N-amino-N'-butyl-4-phenylpiperazine-1-carboximidamide

N-amino-N'-butyl-4-phenylpiperazine-1-carboximidamide (PubChem CID 116512916) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-amino-N'-butyl-4-phenylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-butyl-4-phenylpiperazine-1-carboximidamide
PubChem CID116512916
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC NameN-amino-N'-butyl-4-phenylpiperazine-1-carboximidamide
SMILESCCCC/N=C(\NN)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H25N5/c1-2-3-9-17-15(18-16)20-12-10-19(11-13-20)14-7-5-4-6-8-14/h4-8H,2-3,9-13,16H2,1H3,(H,17,18)
InChIKeyNBOLRKCDDXKYIR-UHFFFAOYSA-N
XLogP1.43
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-butyl-4-(2-fluorophenyl)piperazine-1-carboximidamide
CID 116511221
N'-(N'-octylcarbamimidoyl)-4-phenylpiperazine-1-carboximidamide;hydrochloride
CID 67218505
N-amino-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide
CID 116512996
N-amino-N'-butyl-4-propan-2-ylpiperazine-1-carboximidamide
CID 104883912
2-hexyl-1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111092108
N'-ethyl-4-phenylpiperazine-1-carboximidamide
CID 55064093
1-[4-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 110960994
N-[2-(furan-2-yl)ethyl]-4-phenyl-N'-propylpiperazine-1-carboximidamide
CID 111493410
N-amino-N'-butyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboximidamide
CID 116515128
N-ethyl-N'-[4-(2-oxo-1-pyridinyl)butyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110960898
N-cyclopropyl-4-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]butanamide;hydroiodide
CID 110961628
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-butyl-4-phenylpiperazine-1-carboximidamide?
The IUPAC name of N-amino-N'-butyl-4-phenylpiperazine-1-carboximidamide (CID 116512916) is N-amino-N'-butyl-4-phenylpiperazine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-butyl-4-phenylpiperazine-1-carboximidamide?
The canonical SMILES for N-amino-N'-butyl-4-phenylpiperazine-1-carboximidamide is CCCC/N=C(\NN)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-amino-N'-butyl-4-phenylpiperazine-1-carboximidamide?
The InChIKey is NBOLRKCDDXKYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-2-3-9-17-15(18-16)20-12-10-19(11-13-20)14-7-5-4-6-8-14/h4-8H,2-3,9-13,16H2,1H3,(H,17,18).
What are the key properties of N-amino-N'-butyl-4-phenylpiperazine-1-carboximidamide?
N-amino-N'-butyl-4-phenylpiperazine-1-carboximidamide has a molecular weight of 275.40 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-butyl-4-phenylpiperazine-1-carboximidamide is sourced from PubChem (CID 116512916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).