(6S)-5-[4-(2,7-diazaspiro[4.4]nonan-2-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol

C29H32N2O — CID 164923324

About (6S)-5-[4-(2,7-diazaspiro[4.4]nonan-2-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol

(6S)-5-[4-(2,7-diazaspiro[4.4]nonan-2-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 164923324) has the molecular formula C29H32N2O and a molecular weight of 424.59 g/mol. Its IUPAC name is (6S)-5-[4-(2,7-diazaspiro[4.4]nonan-2-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

• Compound Name: (6S)-5-[4-(2,7-diazaspiro[4.4]nonan-2-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
• PubChem CID: 164923324
• Molecular Formula: C29H32N2O
• Molecular Weight: 424.59 g/mol
• Exact Mass: 424.25
• IUPAC Name: (6S)-5-[4-(2,7-diazaspiro[4.4]nonan-2-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
• SMILES: Oc1ccc2c(c1)CC[C@H](c1ccccc1)C2c1ccc(N2CCC3(CCNC3)C2)cc1
• InChI: InChI=1S/C29H32N2O/c32-25-11-13-27-23(18-25)8-12-26(21-4-2-1-3-5-21)28(27)22-6-9-24(10-7-22)31-17-15-29(20-31)14-16-30-19-29/h1-7,9-11,13,18,26,28,30,32H,8,12,14-17,19-20H2/t26-,28?,29?/m1/s1
• InChIKey: KTFMEZXYZFVIJL-CSJMBUEXSA-N
• XLogP: 5.44
• TPSA: 35.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.59
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6S)-5-[4-(2,7-diazaspiro[4.4]nonan-2-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?

The IUPAC name of (6S)-5-[4-(2,7-diazaspiro[4.4]nonan-2-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 164923324) is (6S)-5-[4-(2,7-diazaspiro[4.4]nonan-2-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol.

What is the SMILES notation for (6S)-5-[4-(2,7-diazaspiro[4.4]nonan-2-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?

The canonical SMILES for (6S)-5-[4-(2,7-diazaspiro[4.4]nonan-2-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol is Oc1ccc2c(c1)CC[C@H](c1ccccc1)C2c1ccc(N2CCC3(CCNC3)C2)cc1.

What is the InChIKey of (6S)-5-[4-(2,7-diazaspiro[4.4]nonan-2-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?

The InChIKey is KTFMEZXYZFVIJL-CSJMBUEXSA-N. The full InChI is InChI=1S/C29H32N2O/c32-25-11-13-27-23(18-25)8-12-26(21-4-2-1-3-5-21)28(27)22-6-9-24(10-7-22)31-17-15-29(20-31)14-16-30-19-29/h1-7,9-11,13,18,26,28,30,32H,8,12,14-17,19-20H2/t26-,28?,29?/m1/s1.

What are the key properties of (6S)-5-[4-(2,7-diazaspiro[4.4]nonan-2-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?

(6S)-5-[4-(2,7-diazaspiro[4.4]nonan-2-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 424.59 g/mol, XLogP of 5.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-5-[4-(2,7-diazaspiro[4.4]nonan-2-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 164923324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).