N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine

C13H25F3N2 — CID 62559376

IUPACN-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESCC(C)(C)C1CCN(CCNCC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2/c1-12(2,3)11-4-7-18(8-5-11)9-6-17-10-13(14,15)16/h11,17H,4-10H2,1-3H3
InChIKeyRBQUBNHOCYSESC-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.90
Rot. Bonds4

About N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine

N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine (PubChem CID 62559376) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
PubChem CID62559376
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC NameN-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESCC(C)(C)C1CCN(CCNCC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2/c1-12(2,3)11-4-7-18(8-5-11)9-6-17-10-13(14,15)16/h11,17H,4-10H2,1-3H3
InChIKeyRBQUBNHOCYSESC-UHFFFAOYSA-N
XLogP2.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine 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

N-[2-(4-ethylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62557757
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-2,2,2-trifluoroethanamine
CID 62554395
4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 59416758
N,N-diethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidin-3-amine
CID 63167916
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine
CID 55089717
4-(4-tert-butylpiperidin-1-yl)-N-methylbutan-1-amine
CID 62084191
N-[3-(4-tert-butylpiperidin-1-yl)propyl]-2-methylpropan-2-amine
CID 62091294
CID 174080990
CID 174080990
N-[(4-tert-butylpiperidin-1-yl)methyl]-2,2-dimethylpropan-1-amine
CID 166564812
2,2,2-trifluoro-N-[2-(3-methoxypiperidin-1-yl)ethyl]ethanamine
CID 102963685
2,2,2-trifluoro-N-[(1-propylpiperidin-4-yl)methyl]ethanamine
CID 83983099
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-1-methoxypropan-2-amine
CID 55089666

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine (CID 62559376) is N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine is CC(C)(C)C1CCN(CCNCC(F)(F)F)CC1.
What is the InChIKey of N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is RBQUBNHOCYSESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-12(2,3)11-4-7-18(8-5-11)9-6-17-10-13(14,15)16/h11,17H,4-10H2,1-3H3.
What are the key properties of N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine?
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 266.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 62559376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).