1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine

C12H21F3N2 — CID 43755088

IUPAC1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2/c1-10(2)3-6-17-7-4-11(5-8-17)16-9-12(13,14)15/h3,11,16H,4-9H2,1-2H3
InChIKeyUKFXUCJLPOWRTC-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.57
Rot. Bonds4

About 1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine

1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 43755088) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID43755088
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2/c1-10(2)3-6-17-7-4-11(5-8-17)16-9-12(13,14)15/h3,11,16H,4-9H2,1-2H3
InChIKeyUKFXUCJLPOWRTC-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-Methylbut-2-en-1-yl)piperidin-4-amine
CID 43556892
1-(2,3-dimethylpent-1-en-3-yl)-N-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine
CID 134594767
(3R,4S)-3-fluoro-N-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]piperidin-4-amine
CID 137547755
1-methyl-N-[(3Z,5Z)-3-(trifluoromethyl)hepta-1,3,5-trien-4-yl]piperidin-4-amine
CID 144622857
N-prop-2-enyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755423
1-(3-methylbut-2-enyl)-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 63226114
1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 81343467
N-propan-2-yl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine
CID 103070422
N-propan-2-yl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
CID 103070855
N-ethyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
CID 103070856
N-tert-butyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
CID 103070858
N-[2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-enyl]cyclopropanamine
CID 103070859

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 43755088) is 1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine is CC(C)=CCN1CCC(NCC(F)(F)F)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is UKFXUCJLPOWRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-10(2)3-6-17-7-4-11(5-8-17)16-9-12(13,14)15/h3,11,16H,4-9H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 250.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 43755088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).