6-chloro-3-[[4,4-difluoro-3-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]-1H-indole

C23H25ClF2N2O — CID 134143623

IUPAC6-chloro-3-[[4,4-difluoro-3-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]-1H-indole
SMILESCOc1ccccc1CCC1CN(Cc2c[nH]c3cc(Cl)ccc23)CCC1(F)F
InChIInChI=1S/C23H25ClF2N2O/c1-29-22-5-3-2-4-16(22)6-7-18-15-28(11-10-23(18,25)26)14-17-13-27-21-12-19(24)8-9-20(17)21/h2-5,8-9,12-13,18,27H,6-7,10-11,14-15H2,1H3
InChIKeyOUZRJSBIXZKDFP-UHFFFAOYSA-N
MW418.92 g/mol
LogP5.92
Rot. Bonds6

About 6-chloro-3-[[4,4-difluoro-3-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]-1H-indole

6-chloro-3-[[4,4-difluoro-3-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]-1H-indole (PubChem CID 134143623) has the molecular formula C23H25ClF2N2O and a molecular weight of 418.92 g/mol. Its IUPAC name is 6-chloro-3-[[4,4-difluoro-3-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name6-chloro-3-[[4,4-difluoro-3-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]-1H-indole
PubChem CID134143623
Molecular FormulaC23H25ClF2N2O
Molecular Weight418.92 g/mol
Exact Mass418.16
IUPAC Name6-chloro-3-[[4,4-difluoro-3-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]-1H-indole
SMILESCOc1ccccc1CCC1CN(Cc2c[nH]c3cc(Cl)ccc23)CCC1(F)F
InChIInChI=1S/C23H25ClF2N2O/c1-29-22-5-3-2-4-16(22)6-7-18-15-28(11-10-23(18,25)26)14-17-13-27-21-12-19(24)8-9-20(17)21/h2-5,8-9,12-13,18,27H,6-7,10-11,14-15H2,1H3
InChIKeyOUZRJSBIXZKDFP-UHFFFAOYSA-N
XLogP5.92
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.92
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-3-[[4,4-difluoro-3-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]-1H-indole with MolForge

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Related Compounds

{[2-chloro-3-(trifluoromethyl)phenyl]methyl}(2,2-diphenylethyl)[3-(1H-indol-4-yloxy)propyl]amine
CID 25190757
5-fluoro-3-[1-[2-(4-fluoro-2-phenylphenoxy)ethyl]piperidin-4-yl]-1H-indole
CID 155517162
3-Chloro-8-methoxy-11H-indolo[3,2-c]quinoline
CID 5378164
2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethan-1-amine
CID 3124849
Mls000757007
CID 330267
{[2-chloro-3-(trifluoromethyl)phenyl]methyl}(2,2-diphenylethyl)[3-(1H-indol-5-yloxy)propyl]amine
CID 25190756
1-Cyclohexyl-N-({6-Fluoro-1-[2-(3-Methoxyphenyl)pyridin-4-Yl]-1h-Indol-3-Yl}methyl)methanamine
CID 129318960
2-[4-[3-chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
CID 58730915
N'-[(3-chloro-8-methoxy-11H-indolo[3,2-c]quinolin-9-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 10047213
2-(5-methoxy-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 23724301
N-(4-chlorobenzyl)-2-(5-methoxy-1H-indol-3-yl)ethanamine
CID 5200316
3-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-5-methoxy-1h-indole
CID 9818448

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[4,4-difluoro-3-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]-1H-indole?
The IUPAC name of 6-chloro-3-[[4,4-difluoro-3-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]-1H-indole (CID 134143623) is 6-chloro-3-[[4,4-difluoro-3-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]-1H-indole.
What is the SMILES notation for 6-chloro-3-[[4,4-difluoro-3-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]-1H-indole?
The canonical SMILES for 6-chloro-3-[[4,4-difluoro-3-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]-1H-indole is COc1ccccc1CCC1CN(Cc2c[nH]c3cc(Cl)ccc23)CCC1(F)F.
What is the InChIKey of 6-chloro-3-[[4,4-difluoro-3-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]-1H-indole?
The InChIKey is OUZRJSBIXZKDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClF2N2O/c1-29-22-5-3-2-4-16(22)6-7-18-15-28(11-10-23(18,25)26)14-17-13-27-21-12-19(24)8-9-20(17)21/h2-5,8-9,12-13,18,27H,6-7,10-11,14-15H2,1H3.
What are the key properties of 6-chloro-3-[[4,4-difluoro-3-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]-1H-indole?
6-chloro-3-[[4,4-difluoro-3-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]-1H-indole has a molecular weight of 418.92 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[4,4-difluoro-3-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]-1H-indole is sourced from PubChem (CID 134143623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).