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

C14H25F3N2 — CID 81343467

IUPAC1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCCCC(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2/c1-12(2)4-9-19-10-5-13(6-11-19)18-8-3-7-14(15,16)17/h4,13,18H,3,5-11H2,1-2H3
InChIKeyRIFGRUUJXGTUJZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.35
Rot. Bonds6

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

1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutyl)piperidin-4-amine (PubChem CID 81343467) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutyl)piperidin-4-amine
PubChem CID81343467
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC Name1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCCCC(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2/c1-12(2)4-9-19-10-5-13(6-11-19)18-8-3-7-14(15,16)17/h4,13,18H,3,5-11H2,1-2H3
InChIKeyRIFGRUUJXGTUJZ-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylbut-2-enyl)-N-octylpiperidin-4-amine
CID 115566614
6-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]hexan-1-ol
CID 103922270
N-(5-methoxypentyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 103779857
2,2-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
CID 113463353
N-ethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43755150
1-(3-methylbut-2-enyl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 43764214
N,N-dimethyl-2-[4-(4,4,4-trifluorobutylamino)piperidin-1-yl]acetamide
CID 81343649
4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol
CID 64911106
methyl 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanoate
CID 43774735
1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine
CID 43755403
N'-cyclopropyl-N'-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine
CID 103780437
3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 43768079

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutyl)piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutyl)piperidin-4-amine (CID 81343467) is 1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutyl)piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutyl)piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutyl)piperidin-4-amine is CC(C)=CCN1CCC(NCCCC(F)(F)F)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutyl)piperidin-4-amine?
The InChIKey is RIFGRUUJXGTUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-12(2)4-9-19-10-5-13(6-11-19)18-8-3-7-14(15,16)17/h4,13,18H,3,5-11H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutyl)piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutyl)piperidin-4-amine has a molecular weight of 278.36 g/mol, XLogP of 3.35, 6 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-(4,4,4-trifluorobutyl)piperidin-4-amine is sourced from PubChem (CID 81343467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).