10-[4-(2-piperidin-1-ylethoxy)phenyl]-9-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2,4,6,12(17),13,15,18-octaen-15-ol

C31H31NO3 — CID 58961538

IUPAC10-[4-(2-piperidin-1-ylethoxy)phenyl]-9-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2,4,6,12(17),13,15,18-octaen-15-ol
SMILESOc1ccc2c3c(ccc2c1)-c1ccccc1COC3c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C31H31NO3/c33-25-11-15-28-23(20-25)10-14-29-27-7-3-2-6-24(27)21-35-31(30(28)29)22-8-12-26(13-9-22)34-19-18-32-16-4-1-5-17-32/h2-3,6-15,20,31,33H,1,4-5,16-19,21H2
InChIKeyBUCRRWPTBNAOJL-UHFFFAOYSA-N
MW465.59 g/mol
LogP6.70
Rot. Bonds5

About 10-[4-(2-piperidin-1-ylethoxy)phenyl]-9-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2,4,6,12(17),13,15,18-octaen-15-ol

10-[4-(2-piperidin-1-ylethoxy)phenyl]-9-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2,4,6,12(17),13,15,18-octaen-15-ol (PubChem CID 58961538) has the molecular formula C31H31NO3 and a molecular weight of 465.59 g/mol. Its IUPAC name is 10-[4-(2-piperidin-1-ylethoxy)phenyl]-9-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2,4,6,12(17),13,15,18-octaen-15-ol.

Molecular Properties

Compound Name10-[4-(2-piperidin-1-ylethoxy)phenyl]-9-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2,4,6,12(17),13,15,18-octaen-15-ol
PubChem CID58961538
Molecular FormulaC31H31NO3
Molecular Weight465.59 g/mol
Exact Mass465.23
IUPAC Name10-[4-(2-piperidin-1-ylethoxy)phenyl]-9-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2,4,6,12(17),13,15,18-octaen-15-ol
SMILESOc1ccc2c3c(ccc2c1)-c1ccccc1COC3c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C31H31NO3/c33-25-11-15-28-23(20-25)10-14-29-27-7-3-2-6-24(27)21-35-31(30(28)29)22-8-12-26(13-9-22)34-19-18-32-16-4-1-5-17-32/h2-3,6-15,20,31,33H,1,4-5,16-19,21H2
InChIKeyBUCRRWPTBNAOJL-UHFFFAOYSA-N
XLogP6.70
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.59
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 10-[4-(2-piperidin-1-ylethoxy)phenyl]-9-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2,4,6,12(17),13,15,18-octaen-15-ol with MolForge

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Related Compounds

8-methylsulfanyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol
CID 59804100
8-(dimethylaminosulfanyl)-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol
CID 143084999
8,10-difluoro-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol;hydrochloride
CID 67004744
6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 10296965
6-(2-fluorophenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride
CID 67005014
6-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3H-2-benzofuran-1-one;hydrochloride
CID 69436628
tert-butyl-[[2-[tert-butyl(dimethyl)silyl]oxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-8-yl]oxy]-dimethylsilane
CID 19595113
(19R)-19-[4-(2-piperidin-1-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2,4,6,12(17),13,15-heptaen-15-ol
CID 44596575
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-(4-sulfanylphenyl)naphthalen-2-ol
CID 70896739
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-thiophen-3-ylnaphthalen-2-ol
CID 58338597
2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol
CID 150942360
[2-(2,6-difluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 67004256

Frequently Asked Questions

What is the IUPAC name of 10-[4-(2-piperidin-1-ylethoxy)phenyl]-9-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2,4,6,12(17),13,15,18-octaen-15-ol?
The IUPAC name of 10-[4-(2-piperidin-1-ylethoxy)phenyl]-9-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2,4,6,12(17),13,15,18-octaen-15-ol (CID 58961538) is 10-[4-(2-piperidin-1-ylethoxy)phenyl]-9-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2,4,6,12(17),13,15,18-octaen-15-ol.
What is the SMILES notation for 10-[4-(2-piperidin-1-ylethoxy)phenyl]-9-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2,4,6,12(17),13,15,18-octaen-15-ol?
The canonical SMILES for 10-[4-(2-piperidin-1-ylethoxy)phenyl]-9-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2,4,6,12(17),13,15,18-octaen-15-ol is Oc1ccc2c3c(ccc2c1)-c1ccccc1COC3c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of 10-[4-(2-piperidin-1-ylethoxy)phenyl]-9-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2,4,6,12(17),13,15,18-octaen-15-ol?
The InChIKey is BUCRRWPTBNAOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO3/c33-25-11-15-28-23(20-25)10-14-29-27-7-3-2-6-24(27)21-35-31(30(28)29)22-8-12-26(13-9-22)34-19-18-32-16-4-1-5-17-32/h2-3,6-15,20,31,33H,1,4-5,16-19,21H2.
What are the key properties of 10-[4-(2-piperidin-1-ylethoxy)phenyl]-9-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2,4,6,12(17),13,15,18-octaen-15-ol?
10-[4-(2-piperidin-1-ylethoxy)phenyl]-9-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2,4,6,12(17),13,15,18-octaen-15-ol has a molecular weight of 465.59 g/mol, XLogP of 6.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(2-piperidin-1-ylethoxy)phenyl]-9-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2,4,6,12(17),13,15,18-octaen-15-ol is sourced from PubChem (CID 58961538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).