N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-1,1,1-trifluoro-3-methoxypropan-2-amine

C17H23Cl2F3N2O — CID 46244221

IUPACN-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-1,1,1-trifluoro-3-methoxypropan-2-amine
SMILESCOCC(NCC[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1)C(F)(F)F
InChIInChI=1S/C17H23Cl2F3N2O/c1-25-10-15(17(20,21)22)24-8-6-16(5-2-7-23-11-16)12-3-4-13(18)14(19)9-12/h3-4,9,15,23-24H,2,5-8,10-11H2,1H3/t15?,16-/m1/s1
InChIKeyWGFFYQRWFCWHEM-OEMAIJDKSA-N
MW399.28 g/mol
LogP4.17
Rot. Bonds7

About N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-1,1,1-trifluoro-3-methoxypropan-2-amine

N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-1,1,1-trifluoro-3-methoxypropan-2-amine (PubChem CID 46244221) has the molecular formula C17H23Cl2F3N2O and a molecular weight of 399.28 g/mol. Its IUPAC name is N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-1,1,1-trifluoro-3-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-1,1,1-trifluoro-3-methoxypropan-2-amine
PubChem CID46244221
Molecular FormulaC17H23Cl2F3N2O
Molecular Weight399.28 g/mol
Exact Mass398.11
IUPAC NameN-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-1,1,1-trifluoro-3-methoxypropan-2-amine
SMILESCOCC(NCC[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1)C(F)(F)F
InChIInChI=1S/C17H23Cl2F3N2O/c1-25-10-15(17(20,21)22)24-8-6-16(5-2-7-23-11-16)12-3-4-13(18)14(19)9-12/h3-4,9,15,23-24H,2,5-8,10-11H2,1H3/t15?,16-/m1/s1
InChIKeyWGFFYQRWFCWHEM-OEMAIJDKSA-N
XLogP4.17
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.28
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-1,1,1-trifluoro-3-methoxypropan-2-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

(RR/SS)-2-[1-(3,4-dichlorophenyl)-3-methylbutyl]-piperidine
CID 16102766
4-((1-(3,4-Dichlorophenyl)cyclohexyl)methyl)morpholine
CID 53323762
(1R)-1-[1-(3,4-dichlorophenyl)cyclobutyl]-N-(4-ethoxybutyl)-3-methylbutan-1-amine
CID 71600027
(RR/SS)-2-[1-(3,4-dichlorophenyl)pentyl]piperidine
CID 16102765
(1R)-1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-methyl-N-(3-propoxypropyl)butan-1-amine
CID 89928550
1-[1-(3,4-dichlorophenyl)cyclobutyl]-N-(2-ethoxyethyl)-3-methylbutan-1-amine
CID 89928551
(1R)-1-[1-(3,4-dichlorophenyl)cyclobutyl]-N-(4-methoxybutyl)-3-methylbutan-1-amine
CID 89928835
2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
CID 46243975
2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide
CID 46244049
(2S)-N-[2-[(3S)-3-(4-chlorophenyl)piperidin-3-yl]ethyl]-1,1,1-trifluoropropan-2-amine
CID 46244055
(2R)-N-[2-[(3S)-3-(4-chlorophenyl)piperidin-3-yl]ethyl]-1,1,1-trifluoropropan-2-amine
CID 46244135
2-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethylamino]-3,3,3-trifluoro-N,N-dimethylpropanamide
CID 46244219

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-1,1,1-trifluoro-3-methoxypropan-2-amine?
The IUPAC name of N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-1,1,1-trifluoro-3-methoxypropan-2-amine (CID 46244221) is N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-1,1,1-trifluoro-3-methoxypropan-2-amine.
What is the SMILES notation for N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-1,1,1-trifluoro-3-methoxypropan-2-amine?
The canonical SMILES for N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-1,1,1-trifluoro-3-methoxypropan-2-amine is COCC(NCC[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1)C(F)(F)F.
What is the InChIKey of N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-1,1,1-trifluoro-3-methoxypropan-2-amine?
The InChIKey is WGFFYQRWFCWHEM-OEMAIJDKSA-N. The full InChI is InChI=1S/C17H23Cl2F3N2O/c1-25-10-15(17(20,21)22)24-8-6-16(5-2-7-23-11-16)12-3-4-13(18)14(19)9-12/h3-4,9,15,23-24H,2,5-8,10-11H2,1H3/t15?,16-/m1/s1.
What are the key properties of N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-1,1,1-trifluoro-3-methoxypropan-2-amine?
N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-1,1,1-trifluoro-3-methoxypropan-2-amine has a molecular weight of 399.28 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-1,1,1-trifluoro-3-methoxypropan-2-amine is sourced from PubChem (CID 46244221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).