N-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide

C10H19F3N4 — CID 104887066

IUPACN-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide
SMILESCCC/N=C(\NN)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H19F3N4/c1-2-5-15-9(16-14)17-6-3-4-8(7-17)10(11,12)13/h8H,2-7,14H2,1H3,(H,15,16)
InChIKeyDHCVIFNWVIPGQY-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.49
Rot. Bonds2

About N-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide

N-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide (PubChem CID 104887066) has the molecular formula C10H19F3N4 and a molecular weight of 252.28 g/mol. Its IUPAC name is N-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide
PubChem CID104887066
Molecular FormulaC10H19F3N4
Molecular Weight252.28 g/mol
Exact Mass252.16
IUPAC NameN-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide
SMILESCCC/N=C(\NN)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H19F3N4/c1-2-5-15-9(16-14)17-6-3-4-8(7-17)10(11,12)13/h8H,2-7,14H2,1H3,(H,15,16)
InChIKeyDHCVIFNWVIPGQY-UHFFFAOYSA-N
XLogP1.49
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-3-(dimethylamino)-N'-propylpiperidine-1-carboximidamide
CID 104887294
(3R)-N-ethyl-N'-prop-2-enyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 99816800
N-amino-N'-(3-ethoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887094
N-propyl-3-(trifluoromethyl)piperidine-1-carbothioamide
CID 115570995
N-amino-3-phenyl-N'-propylpyrrolidine-1-carboximidamide
CID 116513546
1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 60655671
N-amino-3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide
CID 104885951
N-amino-N'-propylthiomorpholine-4-carboximidamide
CID 104883433
N-amino-N'-butyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
CID 104887572
N-amino-2-propan-2-yl-N'-propylpyrrolidine-1-carboximidamide
CID 104887147
2-amino-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 60918464
N'-hydroxy-2-methyl-2-[3-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide
CID 114293066

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide?
The IUPAC name of N-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide (CID 104887066) is N-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide is CCC/N=C(\NN)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide?
The InChIKey is DHCVIFNWVIPGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4/c1-2-5-15-9(16-14)17-6-3-4-8(7-17)10(11,12)13/h8H,2-7,14H2,1H3,(H,15,16).
What are the key properties of N-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide?
N-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide has a molecular weight of 252.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 104887066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).