N-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine

C12H23F3N2 — CID 64552883

IUPACN-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine
SMILESCCNC(C)C1CCCN(CCC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2/c1-3-16-10(2)11-5-4-7-17(9-11)8-6-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeySQAMEDGVMMDXEE-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.65
Rot. Bonds5

About N-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine

N-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine (PubChem CID 64552883) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine
PubChem CID64552883
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC NameN-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine
SMILESCCNC(C)C1CCCN(CCC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2/c1-3-16-10(2)11-5-4-7-17(9-11)8-6-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeySQAMEDGVMMDXEE-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-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine 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-ethyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine
CID 55257799
N-ethyl-1-(1-pentylpiperidin-3-yl)ethanamine
CID 63852706
1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-N-ethylethanamine
CID 63854459
1-[1-(2,2-difluoroethyl)piperidin-3-yl]-N-ethylethanamine
CID 63855151
1-[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]-N-ethylethanamine
CID 106721484
N-ethyl-1-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanamine
CID 63854629
N-[1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]propan-1-amine
CID 63854116
2,2-dimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol
CID 113293730
1-(1-propylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106426780
1-[1-(3,3-dimethylbutyl)piperidin-3-yl]-N-methylethanamine
CID 63855330
N-ethyl-1-[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]ethanamine
CID 65159249
1-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]ethanamine
CID 115512948

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine (CID 64552883) is N-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine is CCNC(C)C1CCCN(CCC(F)(F)F)C1.
What is the InChIKey of N-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine?
The InChIKey is SQAMEDGVMMDXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-3-16-10(2)11-5-4-7-17(9-11)8-6-12(13,14)15/h10-11,16H,3-9H2,1-2H3.
What are the key properties of N-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine?
N-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine 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-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 64552883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).