1-[2-(3,5-difluorophenoxy)ethyl]-N-[(2R)-2-phenylaziridin-1-yl]piperidin-4-amine

C21H25F2N3O — CID 163851119

IUPAC1-[2-(3,5-difluorophenoxy)ethyl]-N-[(2R)-2-phenylaziridin-1-yl]piperidin-4-amine
SMILESFc1cc(F)cc(OCCN2CCC(NN3C[C@H]3c3ccccc3)CC2)c1
InChIInChI=1S/C21H25F2N3O/c22-17-12-18(23)14-20(13-17)27-11-10-25-8-6-19(7-9-25)24-26-15-21(26)16-4-2-1-3-5-16/h1-5,12-14,19,21,24H,6-11,15H2/t21-,26?/m0/s1
InChIKeyOUKWCSCVIHZUAS-GVNKFJBHSA-N
MW373.45 g/mol
LogP3.37
Rot. Bonds7

About 1-[2-(3,5-difluorophenoxy)ethyl]-N-[(2R)-2-phenylaziridin-1-yl]piperidin-4-amine

1-[2-(3,5-difluorophenoxy)ethyl]-N-[(2R)-2-phenylaziridin-1-yl]piperidin-4-amine (PubChem CID 163851119) has the molecular formula C21H25F2N3O and a molecular weight of 373.45 g/mol. Its IUPAC name is 1-[2-(3,5-difluorophenoxy)ethyl]-N-[(2R)-2-phenylaziridin-1-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(3,5-difluorophenoxy)ethyl]-N-[(2R)-2-phenylaziridin-1-yl]piperidin-4-amine
PubChem CID163851119
Molecular FormulaC21H25F2N3O
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name1-[2-(3,5-difluorophenoxy)ethyl]-N-[(2R)-2-phenylaziridin-1-yl]piperidin-4-amine
SMILESFc1cc(F)cc(OCCN2CCC(NN3C[C@H]3c3ccccc3)CC2)c1
InChIInChI=1S/C21H25F2N3O/c22-17-12-18(23)14-20(13-17)27-11-10-25-8-6-19(7-9-25)24-26-15-21(26)16-4-2-1-3-5-16/h1-5,12-14,19,21,24H,6-11,15H2/t21-,26?/m0/s1
InChIKeyOUKWCSCVIHZUAS-GVNKFJBHSA-N
XLogP3.37
TPSA27.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-[2-(3,5-difluorophenoxy)ethyl]-N-[(2R)-2-phenylaziridin-1-yl]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

1-[2-(3-bromo-5-fluorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 120966208
1-[2-(2,4-difluorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
CID 129279690
4-fluoro-N-[1-(2-phenoxyethyl)pyrrolidin-3-yl]benzenesulfonamide
CID 71456782
4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride
CID 23294547
1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine
CID 119919442
1-[2-(3-bromo-5-fluorophenoxy)ethyl]pyrrolidin-3-amine
CID 120966058
1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 119923695
1-[1-[2-(3-bromo-5-fluorophenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120966166
(3R)-3-fluoro-1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidine
CID 178065004
2-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]-N-phenylacetamide
CID 36947804
[1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119909793
4-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 37219437

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-difluorophenoxy)ethyl]-N-[(2R)-2-phenylaziridin-1-yl]piperidin-4-amine?
The IUPAC name of 1-[2-(3,5-difluorophenoxy)ethyl]-N-[(2R)-2-phenylaziridin-1-yl]piperidin-4-amine (CID 163851119) is 1-[2-(3,5-difluorophenoxy)ethyl]-N-[(2R)-2-phenylaziridin-1-yl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(3,5-difluorophenoxy)ethyl]-N-[(2R)-2-phenylaziridin-1-yl]piperidin-4-amine?
The canonical SMILES for 1-[2-(3,5-difluorophenoxy)ethyl]-N-[(2R)-2-phenylaziridin-1-yl]piperidin-4-amine is Fc1cc(F)cc(OCCN2CCC(NN3C[C@H]3c3ccccc3)CC2)c1.
What is the InChIKey of 1-[2-(3,5-difluorophenoxy)ethyl]-N-[(2R)-2-phenylaziridin-1-yl]piperidin-4-amine?
The InChIKey is OUKWCSCVIHZUAS-GVNKFJBHSA-N. The full InChI is InChI=1S/C21H25F2N3O/c22-17-12-18(23)14-20(13-17)27-11-10-25-8-6-19(7-9-25)24-26-15-21(26)16-4-2-1-3-5-16/h1-5,12-14,19,21,24H,6-11,15H2/t21-,26?/m0/s1.
What are the key properties of 1-[2-(3,5-difluorophenoxy)ethyl]-N-[(2R)-2-phenylaziridin-1-yl]piperidin-4-amine?
1-[2-(3,5-difluorophenoxy)ethyl]-N-[(2R)-2-phenylaziridin-1-yl]piperidin-4-amine has a molecular weight of 373.45 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-difluorophenoxy)ethyl]-N-[(2R)-2-phenylaziridin-1-yl]piperidin-4-amine is sourced from PubChem (CID 163851119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).