N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboximidamide

C13H20F3N3O2 — CID 77073200

IUPACN'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboximidamide
SMILESNC(=NO)C1(C(=O)N2CCC(C(F)(F)F)CC2)CCCC1
InChIInChI=1S/C13H20F3N3O2/c14-13(15,16)9-3-7-19(8-4-9)11(20)12(10(17)18-21)5-1-2-6-12/h9,21H,1-8H2,(H2,17,18)
InChIKeyPNJTVXALXNIDEE-UHFFFAOYSA-N
MW307.32 g/mol
LogP2.09
Rot. Bonds2

About N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboximidamide

N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboximidamide (PubChem CID 77073200) has the molecular formula C13H20F3N3O2 and a molecular weight of 307.32 g/mol. Its IUPAC name is N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboximidamide
PubChem CID77073200
Molecular FormulaC13H20F3N3O2
Molecular Weight307.32 g/mol
Exact Mass307.15
IUPAC NameN'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboximidamide
SMILESNC(=NO)C1(C(=O)N2CCC(C(F)(F)F)CC2)CCCC1
InChIInChI=1S/C13H20F3N3O2/c14-13(15,16)9-3-7-19(8-4-9)11(20)12(10(17)18-21)5-1-2-6-12/h9,21H,1-8H2,(H2,17,18)
InChIKeyPNJTVXALXNIDEE-UHFFFAOYSA-N
XLogP2.09
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboximidamide (CID 77073200) is N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboximidamide is NC(=NO)C1(C(=O)N2CCC(C(F)(F)F)CC2)CCCC1.
What is the InChIKey of N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboximidamide?
The InChIKey is PNJTVXALXNIDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O2/c14-13(15,16)9-3-7-19(8-4-9)11(20)12(10(17)18-21)5-1-2-6-12/h9,21H,1-8H2,(H2,17,18).
What are the key properties of N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboximidamide?
N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboximidamide has a molecular weight of 307.32 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboximidamide is sourced from PubChem (CID 77073200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).