(3R)-3-methyl-N'-[[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide

C15H26F3N3 — CID 99813969

IUPAC(3R)-3-methyl-N'-[[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide
SMILESC[C@@H]1CCCN(/C(N)=N/C[C@@H]2CCCC[C@@H]2C(F)(F)F)C1
InChIInChI=1S/C15H26F3N3/c1-11-5-4-8-21(10-11)14(19)20-9-12-6-2-3-7-13(12)15(16,17)18/h11-13H,2-10H2,1H3,(H2,19,20)/t11-,12+,13+/m1/s1
InChIKeyGETVCDPVRHHLSB-AGIUHOORSA-N
MW305.39 g/mol
LogP3.40
Rot. Bonds2

About (3R)-3-methyl-N'-[[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide

(3R)-3-methyl-N'-[[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide (PubChem CID 99813969) has the molecular formula C15H26F3N3 and a molecular weight of 305.39 g/mol. Its IUPAC name is (3R)-3-methyl-N'-[[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name(3R)-3-methyl-N'-[[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide
PubChem CID99813969
Molecular FormulaC15H26F3N3
Molecular Weight305.39 g/mol
Exact Mass305.21
IUPAC Name(3R)-3-methyl-N'-[[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide
SMILESC[C@@H]1CCCN(/C(N)=N/C[C@@H]2CCCC[C@@H]2C(F)(F)F)C1
InChIInChI=1S/C15H26F3N3/c1-11-5-4-8-21(10-11)14(19)20-9-12-6-2-3-7-13(12)15(16,17)18/h11-13H,2-10H2,1H3,(H2,19,20)/t11-,12+,13+/m1/s1
InChIKeyGETVCDPVRHHLSB-AGIUHOORSA-N
XLogP3.40
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.40
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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N'-[[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide?
The IUPAC name of (3R)-3-methyl-N'-[[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide (CID 99813969) is (3R)-3-methyl-N'-[[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide.
What is the SMILES notation for (3R)-3-methyl-N'-[[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide?
The canonical SMILES for (3R)-3-methyl-N'-[[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide is C[C@@H]1CCCN(/C(N)=N/C[C@@H]2CCCC[C@@H]2C(F)(F)F)C1.
What is the InChIKey of (3R)-3-methyl-N'-[[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide?
The InChIKey is GETVCDPVRHHLSB-AGIUHOORSA-N. The full InChI is InChI=1S/C15H26F3N3/c1-11-5-4-8-21(10-11)14(19)20-9-12-6-2-3-7-13(12)15(16,17)18/h11-13H,2-10H2,1H3,(H2,19,20)/t11-,12+,13+/m1/s1.
What are the key properties of (3R)-3-methyl-N'-[[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide?
(3R)-3-methyl-N'-[[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide has a molecular weight of 305.39 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N'-[[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 99813969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).