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

C13H23F3N2 — CID 63226114

IUPAC1-(3-methylbut-2-enyl)-N-(3,3,3-trifluoropropyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCCC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2/c1-11(2)3-8-18-9-4-12(5-10-18)17-7-6-13(14,15)16/h3,12,17H,4-10H2,1-2H3
InChIKeyKTLPGIPUGFTQRY-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.96
Rot. Bonds5

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

1-(3-methylbut-2-enyl)-N-(3,3,3-trifluoropropyl)piperidin-4-amine (PubChem CID 63226114) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-(3,3,3-trifluoropropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-(3,3,3-trifluoropropyl)piperidin-4-amine
PubChem CID63226114
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC Name1-(3-methylbut-2-enyl)-N-(3,3,3-trifluoropropyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCCC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2/c1-11(2)3-8-18-9-4-12(5-10-18)17-7-6-13(14,15)16/h3,12,17H,4-10H2,1-2H3
InChIKeyKTLPGIPUGFTQRY-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.96
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
1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755088
N-prop-2-enyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755423
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-(3,3,3-trifluoropropyl)piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-(3,3,3-trifluoropropyl)piperidin-4-amine (CID 63226114) is 1-(3-methylbut-2-enyl)-N-(3,3,3-trifluoropropyl)piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-(3,3,3-trifluoropropyl)piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-(3,3,3-trifluoropropyl)piperidin-4-amine is CC(C)=CCN1CCC(NCCC(F)(F)F)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-(3,3,3-trifluoropropyl)piperidin-4-amine?
The InChIKey is KTLPGIPUGFTQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-11(2)3-8-18-9-4-12(5-10-18)17-7-6-13(14,15)16/h3,12,17H,4-10H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-(3,3,3-trifluoropropyl)piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-(3,3,3-trifluoropropyl)piperidin-4-amine has a molecular weight of 264.33 g/mol, XLogP of 2.96, 5 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-(3,3,3-trifluoropropyl)piperidin-4-amine is sourced from PubChem (CID 63226114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).