N-(3-cyclohexyloxypropyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide

C18H33F3N4O — CID 109378954

IUPACN-(3-cyclohexyloxypropyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
SMILESC/N=C(\NCCCOC1CCCCC1)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C18H33F3N4O/c1-15(18(19,20)21)24-10-12-25(13-11-24)17(22-2)23-9-6-14-26-16-7-4-3-5-8-16/h15-16H,3-14H2,1-2H3,(H,22,23)
InChIKeyLFSSYDZOWMPPRM-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.87
Rot. Bonds6

About N-(3-cyclohexyloxypropyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide

N-(3-cyclohexyloxypropyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide (PubChem CID 109378954) has the molecular formula C18H33F3N4O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
PubChem CID109378954
Molecular FormulaC18H33F3N4O
Molecular Weight378.48 g/mol
Exact Mass378.26
IUPAC NameN-(3-cyclohexyloxypropyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
SMILESC/N=C(\NCCCOC1CCCCC1)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C18H33F3N4O/c1-15(18(19,20)21)24-10-12-25(13-11-24)17(22-2)23-9-6-14-26-16-7-4-3-5-8-16/h15-16H,3-14H2,1-2H3,(H,22,23)
InChIKeyLFSSYDZOWMPPRM-UHFFFAOYSA-N
XLogP2.87
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-(3-propan-2-yloxypropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376384
N-ethyl-N'-(3-propan-2-yloxypropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376385
N-ethyl-N'-[2-(oxolan-2-yl)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376830
N-ethyl-N'-[2-(oxolan-2-yl)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376831
N'-methyl-N-[3-(oxan-4-yloxy)propyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109377012
N'-methyl-N-[3-(oxan-4-yloxy)propyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377013
N-(3-cyclopentyloxypropyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109377132
N-(3-cyclopentyloxypropyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377133
N'-methyl-N-(3-propan-2-yloxypropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109377144
N'-methyl-N-(3-propan-2-yloxypropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377145
N'-methyl-N-[2-(oxolan-2-yl)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109377562
N'-methyl-N-[2-(oxolan-2-yl)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377563

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide (CID 109378954) is N-(3-cyclohexyloxypropyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide is C/N=C(\NCCCOC1CCCCC1)N1CCN(C(C)C(F)(F)F)CC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The InChIKey is LFSSYDZOWMPPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33F3N4O/c1-15(18(19,20)21)24-10-12-25(13-11-24)17(22-2)23-9-6-14-26-16-7-4-3-5-8-16/h15-16H,3-14H2,1-2H3,(H,22,23).
What are the key properties of N-(3-cyclohexyloxypropyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
N-(3-cyclohexyloxypropyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide has a molecular weight of 378.48 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 109378954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).