(3R)-N-ethyl-N'-prop-2-enyl-3-(trifluoromethyl)piperidine-1-carboximidamide

C12H20F3N3 — CID 99816800

IUPAC(3R)-N-ethyl-N'-prop-2-enyl-3-(trifluoromethyl)piperidine-1-carboximidamide
SMILESC=CC/N=C(\NCC)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C12H20F3N3/c1-3-7-17-11(16-4-2)18-8-5-6-10(9-18)12(13,14)15/h3,10H,1,4-9H2,2H3,(H,16,17)/t10-/m1/s1
InChIKeyYAJOADQTHKZPPC-SNVBAGLBSA-N
MW263.31 g/mol
LogP2.41
Rot. Bonds3

About (3R)-N-ethyl-N'-prop-2-enyl-3-(trifluoromethyl)piperidine-1-carboximidamide

(3R)-N-ethyl-N'-prop-2-enyl-3-(trifluoromethyl)piperidine-1-carboximidamide (PubChem CID 99816800) has the molecular formula C12H20F3N3 and a molecular weight of 263.31 g/mol. Its IUPAC name is (3R)-N-ethyl-N'-prop-2-enyl-3-(trifluoromethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name(3R)-N-ethyl-N'-prop-2-enyl-3-(trifluoromethyl)piperidine-1-carboximidamide
PubChem CID99816800
Molecular FormulaC12H20F3N3
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC Name(3R)-N-ethyl-N'-prop-2-enyl-3-(trifluoromethyl)piperidine-1-carboximidamide
SMILESC=CC/N=C(\NCC)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C12H20F3N3/c1-3-7-17-11(16-4-2)18-8-5-6-10(9-18)12(13,14)15/h3,10H,1,4-9H2,2H3,(H,16,17)/t10-/m1/s1
InChIKeyYAJOADQTHKZPPC-SNVBAGLBSA-N
XLogP2.41
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.41
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-methyl-N'-prop-2-enylpiperidine-1-carboximidamide
CID 111144992
N-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887066
N-ethyl-3-(1-methylpyrazol-4-yl)-N'-prop-2-enylpyrrolidine-1-carboximidamide
CID 111740902
N-propyl-3-(trifluoromethyl)piperidine-1-carbothioamide
CID 115570995
1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 60655671
N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-3-methylpiperidine-1-carboximidamide
CID 111144020
3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide
CID 111143938
N'-(cyclopropylmethyl)-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144379
1-ethyl-2-prop-2-enyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 110980591
N-ethyl-3-methyl-N'-prop-2-ynylpiperidine-1-carboximidamide;hydroiodide
CID 111144659
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboximidamide
CID 111144884
N-prop-2-enyl-4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 41442277

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-N'-prop-2-enyl-3-(trifluoromethyl)piperidine-1-carboximidamide?
The IUPAC name of (3R)-N-ethyl-N'-prop-2-enyl-3-(trifluoromethyl)piperidine-1-carboximidamide (CID 99816800) is (3R)-N-ethyl-N'-prop-2-enyl-3-(trifluoromethyl)piperidine-1-carboximidamide.
What is the SMILES notation for (3R)-N-ethyl-N'-prop-2-enyl-3-(trifluoromethyl)piperidine-1-carboximidamide?
The canonical SMILES for (3R)-N-ethyl-N'-prop-2-enyl-3-(trifluoromethyl)piperidine-1-carboximidamide is C=CC/N=C(\NCC)N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of (3R)-N-ethyl-N'-prop-2-enyl-3-(trifluoromethyl)piperidine-1-carboximidamide?
The InChIKey is YAJOADQTHKZPPC-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20F3N3/c1-3-7-17-11(16-4-2)18-8-5-6-10(9-18)12(13,14)15/h3,10H,1,4-9H2,2H3,(H,16,17)/t10-/m1/s1.
What are the key properties of (3R)-N-ethyl-N'-prop-2-enyl-3-(trifluoromethyl)piperidine-1-carboximidamide?
(3R)-N-ethyl-N'-prop-2-enyl-3-(trifluoromethyl)piperidine-1-carboximidamide has a molecular weight of 263.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-N'-prop-2-enyl-3-(trifluoromethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 99816800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).