4-[3-(trifluoromethyl)piperidin-1-yl]but-2-en-1-amine

C10H17F3N2 — CID 77110534

IUPAC4-[3-(trifluoromethyl)piperidin-1-yl]but-2-en-1-amine
SMILESNCC=CCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2/c11-10(12,13)9-4-3-7-15(8-9)6-2-1-5-14/h1-2,9H,3-8,14H2
InChIKeyHFTHBKSRRQMGPI-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.78
Rot. Bonds3

About 4-[3-(trifluoromethyl)piperidin-1-yl]but-2-en-1-amine

4-[3-(trifluoromethyl)piperidin-1-yl]but-2-en-1-amine (PubChem CID 77110534) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)piperidin-1-yl]but-2-en-1-amine.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)piperidin-1-yl]but-2-en-1-amine
PubChem CID77110534
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name4-[3-(trifluoromethyl)piperidin-1-yl]but-2-en-1-amine
SMILESNCC=CCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2/c11-10(12,13)9-4-3-7-15(8-9)6-2-1-5-14/h1-2,9H,3-8,14H2
InChIKeyHFTHBKSRRQMGPI-UHFFFAOYSA-N
XLogP1.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.78
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

ethyl (E)-4-[3-(trifluoromethyl)piperidin-1-yl]but-2-enoate
CID 80549499
1-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)piperidine
CID 126855058
2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
CID 81080501
4-(trifluoromethyl)-1-[(E)-4-[4-(trifluoromethyl)piperidin-1-yl]but-2-enyl]piperidine
CID 142488201
(3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 97313441
4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-amine
CID 113440626
4-(4-ethylazepan-1-yl)but-2-en-1-amine
CID 77110365
1-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine
CID 79843616
(2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 103935231
3-(trifluoromethyl)piperidin-1-amine
CID 53417581
[5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine
CID 107557056
2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine
CID 96745643

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)piperidin-1-yl]but-2-en-1-amine?
The IUPAC name of 4-[3-(trifluoromethyl)piperidin-1-yl]but-2-en-1-amine (CID 77110534) is 4-[3-(trifluoromethyl)piperidin-1-yl]but-2-en-1-amine.
What is the SMILES notation for 4-[3-(trifluoromethyl)piperidin-1-yl]but-2-en-1-amine?
The canonical SMILES for 4-[3-(trifluoromethyl)piperidin-1-yl]but-2-en-1-amine is NCC=CCN1CCCC(C(F)(F)F)C1.
What is the InChIKey of 4-[3-(trifluoromethyl)piperidin-1-yl]but-2-en-1-amine?
The InChIKey is HFTHBKSRRQMGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c11-10(12,13)9-4-3-7-15(8-9)6-2-1-5-14/h1-2,9H,3-8,14H2.
What are the key properties of 4-[3-(trifluoromethyl)piperidin-1-yl]but-2-en-1-amine?
4-[3-(trifluoromethyl)piperidin-1-yl]but-2-en-1-amine has a molecular weight of 222.25 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)piperidin-1-yl]but-2-en-1-amine is sourced from PubChem (CID 77110534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).