4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide

C10H18F3N3 — CID 91659422

IUPAC4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3/c1-8-2-6-16(7-3-8)9(14)15-5-4-10(11,12)13/h8H,2-7H2,1H3,(H2,14,15)
InChIKeyFDCMNSZQFKULHN-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.99
Rot. Bonds2

About 4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide

4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide (PubChem CID 91659422) has the molecular formula C10H18F3N3 and a molecular weight of 237.27 g/mol. Its IUPAC name is 4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide
PubChem CID91659422
Molecular FormulaC10H18F3N3
Molecular Weight237.27 g/mol
Exact Mass237.15
IUPAC Name4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3/c1-8-2-6-16(7-3-8)9(14)15-5-4-10(11,12)13/h8H,2-7H2,1H3,(H2,14,15)
InChIKeyFDCMNSZQFKULHN-UHFFFAOYSA-N
XLogP1.99
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 65539038
4,4-difluoro-N'-methylpiperidine-1-carboximidamide
CID 89374623
CID 122656908
CID 122656908
N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide
CID 154494478
CID 160943640
CID 160943640
N-methyl-1,1-bis[4-(trifluoromethyl)piperidin-1-yl]methanimine
CID 166858747
N-methyl-1-(4-methylpiperidin-1-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]methanimine
CID 169969192
N'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 64168495
N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 64168701
N'-cyclopropyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 64168702
N'-cyclohexyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 65536342
N'-propyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 65536343

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide?
The IUPAC name of 4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide (CID 91659422) is 4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide.
What is the SMILES notation for 4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide?
The canonical SMILES for 4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide is CC1CCN(/C(N)=N/CCC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide?
The InChIKey is FDCMNSZQFKULHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3/c1-8-2-6-16(7-3-8)9(14)15-5-4-10(11,12)13/h8H,2-7H2,1H3,(H2,14,15).
What are the key properties of 4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide?
4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide has a molecular weight of 237.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide is sourced from PubChem (CID 91659422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).