N-(diaminomethylidene)-4-(trifluoromethyl)piperidine-1-carboximidamide

C8H14F3N5 — CID 83035532

IUPACN-(diaminomethylidene)-4-(trifluoromethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3N5/c9-8(10,11)5-1-3-16(4-2-5)7(14)15-6(12)13/h5H,1-4H2,(H5,12,13,14,15)
InChIKeyQVGZXHLQZIKSRE-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.47
Rot. Bonds

About N-(diaminomethylidene)-4-(trifluoromethyl)piperidine-1-carboximidamide

N-(diaminomethylidene)-4-(trifluoromethyl)piperidine-1-carboximidamide (PubChem CID 83035532) has the molecular formula C8H14F3N5 and a molecular weight of 237.23 g/mol. Its IUPAC name is N-(diaminomethylidene)-4-(trifluoromethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-4-(trifluoromethyl)piperidine-1-carboximidamide
PubChem CID83035532
Molecular FormulaC8H14F3N5
Molecular Weight237.23 g/mol
Exact Mass237.12
IUPAC NameN-(diaminomethylidene)-4-(trifluoromethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3N5/c9-8(10,11)5-1-3-16(4-2-5)7(14)15-6(12)13/h5H,1-4H2,(H5,12,13,14,15)
InChIKeyQVGZXHLQZIKSRE-UHFFFAOYSA-N
XLogP0.47
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.47
H-Bond Donors ≤ 53
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
N-(diaminomethylidene)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride
CID 122656870
N'-carbamimidoyl-4,4-difluoropiperidine-1-carboximidamide
CID 122656871
CID 122656908
CID 122656908
N'-cyano-4,4-difluoropiperidine-1-carboximidamide
CID 122662849
CID 140856271
CID 140856271
N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide
CID 154494478
CID 160943640
CID 160943640
N-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide
CID 176520828
3-(Trifluoromethyl)piperidine-1-carboximidamide hydrochloride
CID 60723760
N'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 64168495
N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 64168701

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-4-(trifluoromethyl)piperidine-1-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-4-(trifluoromethyl)piperidine-1-carboximidamide (CID 83035532) is N-(diaminomethylidene)-4-(trifluoromethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-4-(trifluoromethyl)piperidine-1-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-4-(trifluoromethyl)piperidine-1-carboximidamide is [H]/N=C(\N=C(N)N)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(diaminomethylidene)-4-(trifluoromethyl)piperidine-1-carboximidamide?
The InChIKey is QVGZXHLQZIKSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N5/c9-8(10,11)5-1-3-16(4-2-5)7(14)15-6(12)13/h5H,1-4H2,(H5,12,13,14,15).
What are the key properties of N-(diaminomethylidene)-4-(trifluoromethyl)piperidine-1-carboximidamide?
N-(diaminomethylidene)-4-(trifluoromethyl)piperidine-1-carboximidamide has a molecular weight of 237.23 g/mol, XLogP of 0.47, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-4-(trifluoromethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 83035532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).