(5R,6S)-6-phenyl-5-(4-piperidin-4-yloxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol

C27H29NO2 — CID 134582698

IUPAC(5R,6S)-6-phenyl-5-(4-piperidin-4-yloxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C27H29NO2/c29-22-9-13-26-21(18-22)8-12-25(19-4-2-1-3-5-19)27(26)20-6-10-23(11-7-20)30-24-14-16-28-17-15-24/h1-7,9-11,13,18,24-25,27-29H,8,12,14-17H2/t25-,27+/m1/s1
InChIKeyCTLLITTYMSXDKS-VPUSJEBWSA-N
MW399.53 g/mol
LogP5.38
Rot. Bonds4

About (5R,6S)-6-phenyl-5-(4-piperidin-4-yloxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol

(5R,6S)-6-phenyl-5-(4-piperidin-4-yloxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 134582698) has the molecular formula C27H29NO2 and a molecular weight of 399.53 g/mol. Its IUPAC name is (5R,6S)-6-phenyl-5-(4-piperidin-4-yloxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(5R,6S)-6-phenyl-5-(4-piperidin-4-yloxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID134582698
Molecular FormulaC27H29NO2
Molecular Weight399.53 g/mol
Exact Mass399.22
IUPAC Name(5R,6S)-6-phenyl-5-(4-piperidin-4-yloxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C27H29NO2/c29-22-9-13-26-21(18-22)8-12-25(19-4-2-1-3-5-19)27(26)20-6-10-23(11-7-20)30-24-14-16-28-17-15-24/h1-7,9-11,13,18,24-25,27-29H,8,12,14-17H2/t25-,27+/m1/s1
InChIKeyCTLLITTYMSXDKS-VPUSJEBWSA-N
XLogP5.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.53
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5R,6S)-6-phenyl-5-(4-piperidin-4-yloxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Related Compounds

(5R)-5-(4-cyclobutyloxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;piperidin-4-ide;uranium(2+)
CID 163585160
(5R,6S)-6-phenyl-5-(4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 134579787
[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl] trifluoromethanesulfonate
CID 164923584
(5R)-6-phenyl-5-[4-(2-piperazin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 155031736
(5R,6S)-5-(4-tert-butylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 169315914
(5R,6S)-5-[4-(methylamino)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 164923514
4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]butanal
CID 134582383
(5R,6S)-5-[4-(2,2-diethoxyethoxy)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 134562590
(5S,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 10527520
6-phenyl-5-[4-[4-(piperazin-1-ylmethyl)piperidin-1-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 176660829
5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrolidine
CID 178025148
4-(6-tert-butyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol
CID 172797617

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-phenyl-5-(4-piperidin-4-yloxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of (5R,6S)-6-phenyl-5-(4-piperidin-4-yloxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 134582698) is (5R,6S)-6-phenyl-5-(4-piperidin-4-yloxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (5R,6S)-6-phenyl-5-(4-piperidin-4-yloxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for (5R,6S)-6-phenyl-5-(4-piperidin-4-yloxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol is Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OC2CCNCC2)cc1.
What is the InChIKey of (5R,6S)-6-phenyl-5-(4-piperidin-4-yloxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is CTLLITTYMSXDKS-VPUSJEBWSA-N. The full InChI is InChI=1S/C27H29NO2/c29-22-9-13-26-21(18-22)8-12-25(19-4-2-1-3-5-19)27(26)20-6-10-23(11-7-20)30-24-14-16-28-17-15-24/h1-7,9-11,13,18,24-25,27-29H,8,12,14-17H2/t25-,27+/m1/s1.
What are the key properties of (5R,6S)-6-phenyl-5-(4-piperidin-4-yloxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
(5R,6S)-6-phenyl-5-(4-piperidin-4-yloxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 399.53 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-phenyl-5-(4-piperidin-4-yloxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 134582698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).