(5R,6S)-5-[4-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol

C30H34N2O — CID 164923491

IUPAC(5R,6S)-5-[4-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(N2CCCC3(CCNC3)C2)cc1
InChIInChI=1S/C30H34N2O/c33-26-12-14-28-24(19-26)9-13-27(22-5-2-1-3-6-22)29(28)23-7-10-25(11-8-23)32-18-4-15-30(21-32)16-17-31-20-30/h1-3,5-8,10-12,14,19,27,29,31,33H,4,9,13,15-18,20-21H2/t27-,29+,30?/m1/s1
InChIKeyRBCUNNFPGBDWOG-XYKBFVPCSA-N
MW438.62 g/mol
LogP5.83
Rot. Bonds3

About (5R,6S)-5-[4-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol

(5R,6S)-5-[4-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 164923491) has the molecular formula C30H34N2O and a molecular weight of 438.62 g/mol. Its IUPAC name is (5R,6S)-5-[4-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(5R,6S)-5-[4-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID164923491
Molecular FormulaC30H34N2O
Molecular Weight438.62 g/mol
Exact Mass438.27
IUPAC Name(5R,6S)-5-[4-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(N2CCCC3(CCNC3)C2)cc1
InChIInChI=1S/C30H34N2O/c33-26-12-14-28-24(19-26)9-13-27(22-5-2-1-3-6-22)29(28)23-7-10-25(11-8-23)32-18-4-15-30(21-32)16-17-31-20-30/h1-3,5-8,10-12,14,19,27,29,31,33H,4,9,13,15-18,20-21H2/t27-,29+,30?/m1/s1
InChIKeyRBCUNNFPGBDWOG-XYKBFVPCSA-N
XLogP5.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.62
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(6S)-5-[4-(2,7-diazaspiro[4.4]nonan-2-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 164923324
(5R,6S)-6-phenyl-5-(4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 134579787
2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,8-diazaspiro[3.5]nonan-8-yl]acetic acid
CID 164924450
[(3S,4R)-4-[4-(4,12-diazaspiro[7.7]pentadecan-4-yl)phenyl]-7-hydroxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl] 2-[4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperazin-1-yl]acetate
CID 164924579
[(5R,6S)-5-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]boronic acid
CID 164923078
(5S,6S)-5-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 170729501
2-[8-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]-2,8-diazaspiro[4.5]decan-2-yl]acetaldehyde
CID 164923450
1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidine-4-carboxylic acid
CID 164923007
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
2-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-1,6-diazacycloundec-1-yl]acetic acid
CID 164924049
2,2-dimethoxyethanol;ethane;(5R,6S)-6-phenyl-5-(4-pyrrolidin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 142368171

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-[4-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of (5R,6S)-5-[4-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 164923491) is (5R,6S)-5-[4-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (5R,6S)-5-[4-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for (5R,6S)-5-[4-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol is Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(N2CCCC3(CCNC3)C2)cc1.
What is the InChIKey of (5R,6S)-5-[4-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is RBCUNNFPGBDWOG-XYKBFVPCSA-N. The full InChI is InChI=1S/C30H34N2O/c33-26-12-14-28-24(19-26)9-13-27(22-5-2-1-3-6-22)29(28)23-7-10-25(11-8-23)32-18-4-15-30(21-32)16-17-31-20-30/h1-3,5-8,10-12,14,19,27,29,31,33H,4,9,13,15-18,20-21H2/t27-,29+,30?/m1/s1.
What are the key properties of (5R,6S)-5-[4-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
(5R,6S)-5-[4-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 438.62 g/mol, XLogP of 5.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-[4-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 164923491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).