1-[1-(3-chlorophenyl)-2-[4-[(6-methoxynaphthalen-2-yl)methyl]piperazin-1-yl]ethyl]cyclohexan-1-ol

C30H37ClN2O2 — CID 11330508

About 1-[1-(3-chlorophenyl)-2-[4-[(6-methoxynaphthalen-2-yl)methyl]piperazin-1-yl]ethyl]cyclohexan-1-ol

1-[1-(3-chlorophenyl)-2-[4-[(6-methoxynaphthalen-2-yl)methyl]piperazin-1-yl]ethyl]cyclohexan-1-ol (PubChem CID 11330508) has the molecular formula C30H37ClN2O2 and a molecular weight of 493.09 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)-2-[4-[(6-methoxynaphthalen-2-yl)methyl]piperazin-1-yl]ethyl]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 1-[1-(3-chlorophenyl)-2-[4-[(6-methoxynaphthalen-2-yl)methyl]piperazin-1-yl]ethyl]cyclohexan-1-ol
• PubChem CID: 11330508
• Molecular Formula: C30H37ClN2O2
• Molecular Weight: 493.09 g/mol
• Exact Mass: 492.25
• IUPAC Name: 1-[1-(3-chlorophenyl)-2-[4-[(6-methoxynaphthalen-2-yl)methyl]piperazin-1-yl]ethyl]cyclohexan-1-ol
• SMILES: COc1ccc2cc(CN3CCN(CC(c4cccc(Cl)c4)C4(O)CCCCC4)CC3)ccc2c1
• InChI: InChI=1S/C30H37ClN2O2/c1-35-28-11-10-24-18-23(8-9-25(24)20-28)21-32-14-16-33(17-15-32)22-29(26-6-5-7-27(31)19-26)30(34)12-3-2-4-13-30/h5-11,18-20,29,34H,2-4,12-17,21-22H2,1H3
• InChIKey: UHIWYKXIKXVXPF-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 35.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.09
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)-2-[4-[(6-methoxynaphthalen-2-yl)methyl]piperazin-1-yl]ethyl]cyclohexan-1-ol?

The IUPAC name of 1-[1-(3-chlorophenyl)-2-[4-[(6-methoxynaphthalen-2-yl)methyl]piperazin-1-yl]ethyl]cyclohexan-1-ol (CID 11330508) is 1-[1-(3-chlorophenyl)-2-[4-[(6-methoxynaphthalen-2-yl)methyl]piperazin-1-yl]ethyl]cyclohexan-1-ol.

What is the SMILES notation for 1-[1-(3-chlorophenyl)-2-[4-[(6-methoxynaphthalen-2-yl)methyl]piperazin-1-yl]ethyl]cyclohexan-1-ol?

The canonical SMILES for 1-[1-(3-chlorophenyl)-2-[4-[(6-methoxynaphthalen-2-yl)methyl]piperazin-1-yl]ethyl]cyclohexan-1-ol is COc1ccc2cc(CN3CCN(CC(c4cccc(Cl)c4)C4(O)CCCCC4)CC3)ccc2c1.

What is the InChIKey of 1-[1-(3-chlorophenyl)-2-[4-[(6-methoxynaphthalen-2-yl)methyl]piperazin-1-yl]ethyl]cyclohexan-1-ol?

The InChIKey is UHIWYKXIKXVXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37ClN2O2/c1-35-28-11-10-24-18-23(8-9-25(24)20-28)21-32-14-16-33(17-15-32)22-29(26-6-5-7-27(31)19-26)30(34)12-3-2-4-13-30/h5-11,18-20,29,34H,2-4,12-17,21-22H2,1H3.

What are the key properties of 1-[1-(3-chlorophenyl)-2-[4-[(6-methoxynaphthalen-2-yl)methyl]piperazin-1-yl]ethyl]cyclohexan-1-ol?

1-[1-(3-chlorophenyl)-2-[4-[(6-methoxynaphthalen-2-yl)methyl]piperazin-1-yl]ethyl]cyclohexan-1-ol has a molecular weight of 493.09 g/mol, XLogP of 6.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(3-chlorophenyl)-2-[4-[(6-methoxynaphthalen-2-yl)methyl]piperazin-1-yl]ethyl]cyclohexan-1-ol is sourced from PubChem (CID 11330508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).