1-[[5-cyclopentyloxy-1-[(2,6-difluorophenyl)methyl]indol-3-yl]methyl]piperidin-4-ol

C26H30F2N2O2 — CID 134108056

IUPAC1-[[5-cyclopentyloxy-1-[(2,6-difluorophenyl)methyl]indol-3-yl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2cn(Cc3c(F)cccc3F)c3ccc(OC4CCCC4)cc23)CC1
InChIInChI=1S/C26H30F2N2O2/c27-24-6-3-7-25(28)23(24)17-30-16-18(15-29-12-10-19(31)11-13-29)22-14-21(8-9-26(22)30)32-20-4-1-2-5-20/h3,6-9,14,16,19-20,31H,1-2,4-5,10-13,15,17H2
InChIKeyGDSCBNMSXTVXGF-UHFFFAOYSA-N
MW440.53 g/mol
LogP5.25
Rot. Bonds6

About 1-[[5-cyclopentyloxy-1-[(2,6-difluorophenyl)methyl]indol-3-yl]methyl]piperidin-4-ol

1-[[5-cyclopentyloxy-1-[(2,6-difluorophenyl)methyl]indol-3-yl]methyl]piperidin-4-ol (PubChem CID 134108056) has the molecular formula C26H30F2N2O2 and a molecular weight of 440.53 g/mol. Its IUPAC name is 1-[[5-cyclopentyloxy-1-[(2,6-difluorophenyl)methyl]indol-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[5-cyclopentyloxy-1-[(2,6-difluorophenyl)methyl]indol-3-yl]methyl]piperidin-4-ol
PubChem CID134108056
Molecular FormulaC26H30F2N2O2
Molecular Weight440.53 g/mol
Exact Mass440.23
IUPAC Name1-[[5-cyclopentyloxy-1-[(2,6-difluorophenyl)methyl]indol-3-yl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2cn(Cc3c(F)cccc3F)c3ccc(OC4CCCC4)cc23)CC1
InChIInChI=1S/C26H30F2N2O2/c27-24-6-3-7-25(28)23(24)17-30-16-18(15-29-12-10-19(31)11-13-29)22-14-21(8-9-26(22)30)32-20-4-1-2-5-20/h3,6-9,14,16,19-20,31H,1-2,4-5,10-13,15,17H2
InChIKeyGDSCBNMSXTVXGF-UHFFFAOYSA-N
XLogP5.25
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.53
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[5-cyclopentyloxy-1-[(2,6-difluorophenyl)methyl]indol-3-yl]methyl]piperidin-4-ol with MolForge

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Related Compounds

1-[[5-cyclopentyloxy-1-(cyclopropylmethyl)indol-3-yl]methyl]piperidin-4-ol
CID 134108061
1-[[5-but-2-ynoxy-1-(2-cyclohexylethyl)indol-3-yl]methyl]piperidin-4-ol
CID 134108071
1-[[5-[2-(4-chlorophenyl)ethoxy]-1-(cyclopropylmethyl)indol-3-yl]methyl]piperidin-4-ol
CID 134108064
1-[[5-but-2-ynoxy-1-(3-methylbutyl)indol-3-yl]methyl]piperidin-4-ol
CID 134108065
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
1-[[1-[(5-chlorothiophen-2-yl)methyl]-5-[2-(4-methoxyphenyl)ethoxy]indol-3-yl]methyl]piperidin-4-ol
CID 134107829
N-(4-cyclopentyloxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46775304
azepan-1-yl-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]methanone
CID 53117764
N-[2-[cyclohexyl(methyl)amino]ethyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide
CID 20974080
1-[(2,5-difluorophenyl)methyl]piperidin-4-ol
CID 24904993
2-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]oxyethanol
CID 115883414
[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 92589969

Frequently Asked Questions

What is the IUPAC name of 1-[[5-cyclopentyloxy-1-[(2,6-difluorophenyl)methyl]indol-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[5-cyclopentyloxy-1-[(2,6-difluorophenyl)methyl]indol-3-yl]methyl]piperidin-4-ol (CID 134108056) is 1-[[5-cyclopentyloxy-1-[(2,6-difluorophenyl)methyl]indol-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[5-cyclopentyloxy-1-[(2,6-difluorophenyl)methyl]indol-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[5-cyclopentyloxy-1-[(2,6-difluorophenyl)methyl]indol-3-yl]methyl]piperidin-4-ol is OC1CCN(Cc2cn(Cc3c(F)cccc3F)c3ccc(OC4CCCC4)cc23)CC1.
What is the InChIKey of 1-[[5-cyclopentyloxy-1-[(2,6-difluorophenyl)methyl]indol-3-yl]methyl]piperidin-4-ol?
The InChIKey is GDSCBNMSXTVXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N2O2/c27-24-6-3-7-25(28)23(24)17-30-16-18(15-29-12-10-19(31)11-13-29)22-14-21(8-9-26(22)30)32-20-4-1-2-5-20/h3,6-9,14,16,19-20,31H,1-2,4-5,10-13,15,17H2.
What are the key properties of 1-[[5-cyclopentyloxy-1-[(2,6-difluorophenyl)methyl]indol-3-yl]methyl]piperidin-4-ol?
1-[[5-cyclopentyloxy-1-[(2,6-difluorophenyl)methyl]indol-3-yl]methyl]piperidin-4-ol has a molecular weight of 440.53 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-cyclopentyloxy-1-[(2,6-difluorophenyl)methyl]indol-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 134108056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).