N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide

C21H36N6 — CID 110961989

IUPACN'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide
SMILESC/N=C(\NCC(C)CN1CCN(C)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H36N6/c1-19(18-25-11-9-24(3)10-12-25)17-23-21(22-2)27-15-13-26(14-16-27)20-7-5-4-6-8-20/h4-8,19H,9-18H2,1-3H3,(H,22,23)
InChIKeyXRACCKFNENSPKJ-UHFFFAOYSA-N
MW372.56 g/mol
LogP1.27
Rot. Bonds5

About N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide

N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide (PubChem CID 110961989) has the molecular formula C21H36N6 and a molecular weight of 372.56 g/mol. Its IUPAC name is N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide
PubChem CID110961989
Molecular FormulaC21H36N6
Molecular Weight372.56 g/mol
Exact Mass372.30
IUPAC NameN'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide
SMILESC/N=C(\NCC(C)CN1CCN(C)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H36N6/c1-19(18-25-11-9-24(3)10-12-25)17-23-21(22-2)27-15-13-26(14-16-27)20-7-5-4-6-8-20/h4-8,19H,9-18H2,1-3H3,(H,22,23)
InChIKeyXRACCKFNENSPKJ-UHFFFAOYSA-N
XLogP1.27
TPSA37.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide
CID 110961993
4-(2-methoxyphenyl)-N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperazine-1-carboximidamide
CID 111133017
4-benzyl-N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111152603
N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide
CID 111722685
4-(2-hydroxyphenyl)-N'-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperazine-1-carboximidamide
CID 111185212
4-(furan-2-carbonyl)-N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperazine-1-carboximidamide
CID 111167067
1-(2,2-diphenylethyl)-2-methyl-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111356839
N'-methyl-N-[[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methyl]-4-phenylpiperazine-1-carboximidamide
CID 110960927
2-methyl-1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(1-phenylethyl)guanidine
CID 110949950
N'-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110962068
4-(2,3-dimethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methylpiperazine-1-carboximidamide
CID 111238333
N'-methyl-N-[[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110960926

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide?
The IUPAC name of N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide (CID 110961989) is N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide is C/N=C(\NCC(C)CN1CCN(C)CC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide?
The InChIKey is XRACCKFNENSPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N6/c1-19(18-25-11-9-24(3)10-12-25)17-23-21(22-2)27-15-13-26(14-16-27)20-7-5-4-6-8-20/h4-8,19H,9-18H2,1-3H3,(H,22,23).
What are the key properties of N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide?
N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide has a molecular weight of 372.56 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide is sourced from PubChem (CID 110961989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).