4-[2-(trifluoromethyl)piperidin-1-yl]butan-1-amine

C10H19F3N2 — CID 165436287

IUPAC4-[2-(trifluoromethyl)piperidin-1-yl]butan-1-amine
SMILESNCCCCN1CCCCC1C(F)(F)F
InChIInChI=1S/C10H19F3N2/c11-10(12,13)9-5-1-3-7-15(9)8-4-2-6-14/h9H,1-8,14H2
InChIKeyVUQJIVRIIADVHX-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.14
Rot. Bonds4

About 4-[2-(trifluoromethyl)piperidin-1-yl]butan-1-amine

4-[2-(trifluoromethyl)piperidin-1-yl]butan-1-amine (PubChem CID 165436287) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)piperidin-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)piperidin-1-yl]butan-1-amine
PubChem CID165436287
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name4-[2-(trifluoromethyl)piperidin-1-yl]butan-1-amine
SMILESNCCCCN1CCCCC1C(F)(F)F
InChIInChI=1S/C10H19F3N2/c11-10(12,13)9-5-1-3-7-15(9)8-4-2-6-14/h9H,1-8,14H2
InChIKeyVUQJIVRIIADVHX-UHFFFAOYSA-N
XLogP2.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-(trifluoromethyl)piperidin-1-yl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(trifluoromethyl)piperidin-1-yl]propanoic acid
CID 165436290
1-(4-aminobutyl)pyrrolidin-2-ol
CID 101255964
7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)heptan-1-amine
CID 43628297
4-[2-(diethylaminomethyl)piperidin-1-yl]butan-1-amine
CID 19845936
1-butyl-2-tert-butylpiperidine
CID 58060832
methyl 1-(5-aminopentyl)piperidine-2-carboxylate
CID 115533674
3-(2-ethylazepan-1-yl)propan-1-amine
CID 112545599
2-amino-6-borono-2-[2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]hexanoic acid
CID 66833203
3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83052825
3-[2-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 121201536
[1-(3-aminopropyl)pyrrolidin-2-yl]methanol;dihydrochloride
CID 175453731
[(2S,3R)-1-methyl-2-(trifluoromethyl)azepan-3-yl]methanamine
CID 96614436

Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)piperidin-1-yl]butan-1-amine?
The IUPAC name of 4-[2-(trifluoromethyl)piperidin-1-yl]butan-1-amine (CID 165436287) is 4-[2-(trifluoromethyl)piperidin-1-yl]butan-1-amine.
What is the SMILES notation for 4-[2-(trifluoromethyl)piperidin-1-yl]butan-1-amine?
The canonical SMILES for 4-[2-(trifluoromethyl)piperidin-1-yl]butan-1-amine is NCCCCN1CCCCC1C(F)(F)F.
What is the InChIKey of 4-[2-(trifluoromethyl)piperidin-1-yl]butan-1-amine?
The InChIKey is VUQJIVRIIADVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c11-10(12,13)9-5-1-3-7-15(9)8-4-2-6-14/h9H,1-8,14H2.
What are the key properties of 4-[2-(trifluoromethyl)piperidin-1-yl]butan-1-amine?
4-[2-(trifluoromethyl)piperidin-1-yl]butan-1-amine has a molecular weight of 224.27 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)piperidin-1-yl]butan-1-amine is sourced from PubChem (CID 165436287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).