N-(2-methylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C12H23F3N2 — CID 62693274

IUPACN-(2-methylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCCC(C)CNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2/c1-3-10(2)8-16-11-4-6-17(7-5-11)9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyKTBCTUJKUHUJSD-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.65
Rot. Bonds5

About N-(2-methylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(2-methylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 62693274) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(2-methylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-methylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID62693274
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC NameN-(2-methylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCCC(C)CNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2/c1-3-10(2)8-16-11-4-6-17(7-5-11)9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyKTBCTUJKUHUJSD-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-methylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-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

N-(2-methyl-3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63981310
1-ethyl-N-(2-methylbutyl)piperidin-4-amine
CID 61038759
1-ethyl-N-(2-methylbutyl)pyrrolidin-3-amine
CID 142317585
2-[4-(2-methylbutylamino)piperidin-1-yl]acetonitrile
CID 115887467
N-(2-phenylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43769154
1-cyclopropyl-N-(2-methylbutyl)piperidin-4-amine
CID 43746988
N-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755345
N-(2-methylbutyl)cyclopentanamine
CID 43200714
2,4-dimethyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-2-ol
CID 66178563
N-(3-methylsulfinylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 115901511
(2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol
CID 103788940
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61207184

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(2-methylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 62693274) is N-(2-methylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(2-methylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(2-methylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CCC(C)CNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(2-methylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is KTBCTUJKUHUJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-3-10(2)8-16-11-4-6-17(7-5-11)9-12(13,14)15/h10-11,16H,3-9H2,1-2H3.
What are the key properties of N-(2-methylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(2-methylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 252.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 62693274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).