N'-methyl-N-[(2-phenylcyclopropyl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide

C19H27F3N4 — CID 109378912

IUPACN'-methyl-N-[(2-phenylcyclopropyl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
SMILESC/N=C(\NCC1CC1c1ccccc1)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C19H27F3N4/c1-14(19(20,21)22)25-8-10-26(11-9-25)18(23-2)24-13-16-12-17(16)15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3,(H,23,24)
InChIKeyCCUGHINRGGPWBF-UHFFFAOYSA-N
MW368.45 g/mol
LogP2.93
Rot. Bonds4

About N'-methyl-N-[(2-phenylcyclopropyl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide

N'-methyl-N-[(2-phenylcyclopropyl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide (PubChem CID 109378912) has the molecular formula C19H27F3N4 and a molecular weight of 368.45 g/mol. Its IUPAC name is N'-methyl-N-[(2-phenylcyclopropyl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[(2-phenylcyclopropyl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
PubChem CID109378912
Molecular FormulaC19H27F3N4
Molecular Weight368.45 g/mol
Exact Mass368.22
IUPAC NameN'-methyl-N-[(2-phenylcyclopropyl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
SMILESC/N=C(\NCC1CC1c1ccccc1)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C19H27F3N4/c1-14(19(20,21)22)25-8-10-26(11-9-25)18(23-2)24-13-16-12-17(16)15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3,(H,23,24)
InChIKeyCCUGHINRGGPWBF-UHFFFAOYSA-N
XLogP2.93
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-methyl-N-(2-phenylcyclopropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376583
N'-methyl-N-[(2-methylphenyl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109378636
N-[(2-methoxyphenyl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109378656
N-[3-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]propyl]benzamide
CID 109378990
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109378964
N'-methyl-N-[(3-methylphenyl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376581
N'-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377061
N-[[2-(difluoromethoxy)phenyl]methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109377526
N'-methyl-N-(thiophen-3-ylmethyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377639
N'-methyl-N-[3-(2-phenylethoxy)propyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109379268
N-tert-butyl-2-[[N'-methyl-N-[(2-phenylcyclopropyl)methyl]carbamimidoyl]amino]acetamide
CID 111558293
N-[2-(2-methoxyphenoxy)propyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377039

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(2-phenylcyclopropyl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N'-methyl-N-[(2-phenylcyclopropyl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide (CID 109378912) is N'-methyl-N-[(2-phenylcyclopropyl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[(2-phenylcyclopropyl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[(2-phenylcyclopropyl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide is C/N=C(\NCC1CC1c1ccccc1)N1CCN(C(C)C(F)(F)F)CC1.
What is the InChIKey of N'-methyl-N-[(2-phenylcyclopropyl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The InChIKey is CCUGHINRGGPWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N4/c1-14(19(20,21)22)25-8-10-26(11-9-25)18(23-2)24-13-16-12-17(16)15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3,(H,23,24).
What are the key properties of N'-methyl-N-[(2-phenylcyclopropyl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
N'-methyl-N-[(2-phenylcyclopropyl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide has a molecular weight of 368.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(2-phenylcyclopropyl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 109378912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).