N-[2-[cyclopropyl(methyl)amino]propyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide

C19H32IN5 — CID 110961824

IUPACN-[2-[cyclopropyl(methyl)amino]propyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(C)N(C)C1CC1)N1CCN(c2ccccc2)CC1.I
InChIInChI=1S/C19H31N5.HI/c1-16(22(3)17-9-10-17)15-21-19(20-2)24-13-11-23(12-14-24)18-7-5-4-6-8-18;/h4-8,16-17H,9-15H2,1-3H3,(H,20,21);1H
InChIKeyOVCVAILJJMSMAP-UHFFFAOYSA-N
MW457.40 g/mol
LogP2.48
Rot. Bonds5

About N-[2-[cyclopropyl(methyl)amino]propyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide

N-[2-[cyclopropyl(methyl)amino]propyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 110961824) has the molecular formula C19H32IN5 and a molecular weight of 457.40 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]propyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]propyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
PubChem CID110961824
Molecular FormulaC19H32IN5
Molecular Weight457.40 g/mol
Exact Mass457.17
IUPAC NameN-[2-[cyclopropyl(methyl)amino]propyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(C)N(C)C1CC1)N1CCN(c2ccccc2)CC1.I
InChIInChI=1S/C19H31N5.HI/c1-16(22(3)17-9-10-17)15-21-19(20-2)24-13-11-23(12-14-24)18-7-5-4-6-8-18;/h4-8,16-17H,9-15H2,1-3H3,(H,20,21);1H
InChIKeyOVCVAILJJMSMAP-UHFFFAOYSA-N
XLogP2.48
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-cyclopropyl-2-(dimethylamino)ethyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110962048
N'-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110962068
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide
CID 110961993
N-[2-[cyclopropyl(methyl)amino]propyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111525878
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide
CID 110961581
N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide
CID 110961989
N-(2-methoxyethyl)-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961380
N-[2-[cyclopropyl(methyl)amino]propyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119144021
N,N-dimethyl-3-[[N-methyl-C-(4-phenylpiperazin-1-yl)carbonimidoyl]amino]propanamide
CID 110961891
N-[2-cyclopropyl-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111242223
methyl 1-[N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]carbamimidoyl]piperidine-4-carboxylate
CID 111254715
N-ethyl-N'-(2-methylpropyl)-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961404

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]propyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]propyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide (CID 110961824) is N-[2-[cyclopropyl(methyl)amino]propyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]propyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]propyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide is C/N=C(\NCC(C)N(C)C1CC1)N1CCN(c2ccccc2)CC1.I.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]propyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is OVCVAILJJMSMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5.HI/c1-16(22(3)17-9-10-17)15-21-19(20-2)24-13-11-23(12-14-24)18-7-5-4-6-8-18;/h4-8,16-17H,9-15H2,1-3H3,(H,20,21);1H.
What are the key properties of N-[2-[cyclopropyl(methyl)amino]propyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide?
N-[2-[cyclopropyl(methyl)amino]propyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 457.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]propyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110961824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).