6-phenyl-5-[4-[4-(piperazin-1-ylmethyl)piperidin-1-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

C32H39N3O — CID 176660829

About 6-phenyl-5-[4-[4-(piperazin-1-ylmethyl)piperidin-1-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

6-phenyl-5-[4-[4-(piperazin-1-ylmethyl)piperidin-1-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 176660829) has the molecular formula C32H39N3O and a molecular weight of 481.68 g/mol. Its IUPAC name is 6-phenyl-5-[4-[4-(piperazin-1-ylmethyl)piperidin-1-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

• Compound Name: 6-phenyl-5-[4-[4-(piperazin-1-ylmethyl)piperidin-1-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
• PubChem CID: 176660829
• Molecular Formula: C32H39N3O
• Molecular Weight: 481.68 g/mol
• Exact Mass: 481.31
• IUPAC Name: 6-phenyl-5-[4-[4-(piperazin-1-ylmethyl)piperidin-1-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
• SMILES: Oc1ccc2c(c1)CCC(c1ccccc1)C2c1ccc(N2CCC(CN3CCNCC3)CC2)cc1
• InChI: InChI=1S/C32H39N3O/c36-29-11-13-31-27(22-29)8-12-30(25-4-2-1-3-5-25)32(31)26-6-9-28(10-7-26)35-18-14-24(15-19-35)23-34-20-16-33-17-21-34/h1-7,9-11,13,22,24,30,32-33,36H,8,12,14-21,23H2
• InChIKey: CHNGNRHELJKNJV-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 38.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.68
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-5-[4-[4-(piperazin-1-ylmethyl)piperidin-1-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?

The IUPAC name of 6-phenyl-5-[4-[4-(piperazin-1-ylmethyl)piperidin-1-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 176660829) is 6-phenyl-5-[4-[4-(piperazin-1-ylmethyl)piperidin-1-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

What is the SMILES notation for 6-phenyl-5-[4-[4-(piperazin-1-ylmethyl)piperidin-1-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?

The canonical SMILES for 6-phenyl-5-[4-[4-(piperazin-1-ylmethyl)piperidin-1-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is Oc1ccc2c(c1)CCC(c1ccccc1)C2c1ccc(N2CCC(CN3CCNCC3)CC2)cc1.

What is the InChIKey of 6-phenyl-5-[4-[4-(piperazin-1-ylmethyl)piperidin-1-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?

The InChIKey is CHNGNRHELJKNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N3O/c36-29-11-13-31-27(22-29)8-12-30(25-4-2-1-3-5-25)32(31)26-6-9-28(10-7-26)35-18-14-24(15-19-35)23-34-20-16-33-17-21-34/h1-7,9-11,13,22,24,30,32-33,36H,8,12,14-21,23H2.

What are the key properties of 6-phenyl-5-[4-[4-(piperazin-1-ylmethyl)piperidin-1-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?

6-phenyl-5-[4-[4-(piperazin-1-ylmethyl)piperidin-1-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 481.68 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-phenyl-5-[4-[4-(piperazin-1-ylmethyl)piperidin-1-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 176660829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).