6-methoxy-1-[(2-methoxyphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol

C24H27NO3 — CID 23500857

IUPAC6-methoxy-1-[(2-methoxyphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol
SMILESCOc1ccc2c(C(c3ccccc3OC)N3CCCCC3)c(O)ccc2c1
InChIInChI=1S/C24H27NO3/c1-27-18-11-12-19-17(16-18)10-13-21(26)23(19)24(25-14-6-3-7-15-25)20-8-4-5-9-22(20)28-2/h4-5,8-13,16,24,26H,3,6-7,14-15H2,1-2H3
InChIKeyZYWYGZQVPGYRHK-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.14
Rot. Bonds5

About 6-methoxy-1-[(2-methoxyphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol

6-methoxy-1-[(2-methoxyphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol (PubChem CID 23500857) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 6-methoxy-1-[(2-methoxyphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-methoxy-1-[(2-methoxyphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol
PubChem CID23500857
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name6-methoxy-1-[(2-methoxyphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol
SMILESCOc1ccc2c(C(c3ccccc3OC)N3CCCCC3)c(O)ccc2c1
InChIInChI=1S/C24H27NO3/c1-27-18-11-12-19-17(16-18)10-13-21(26)23(19)24(25-14-6-3-7-15-25)20-8-4-5-9-22(20)28-2/h4-5,8-13,16,24,26H,3,6-7,14-15H2,1-2H3
InChIKeyZYWYGZQVPGYRHK-UHFFFAOYSA-N
XLogP5.14
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-[(2-methoxyphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol?
The IUPAC name of 6-methoxy-1-[(2-methoxyphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol (CID 23500857) is 6-methoxy-1-[(2-methoxyphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol.
What is the SMILES notation for 6-methoxy-1-[(2-methoxyphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol?
The canonical SMILES for 6-methoxy-1-[(2-methoxyphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol is COc1ccc2c(C(c3ccccc3OC)N3CCCCC3)c(O)ccc2c1.
What is the InChIKey of 6-methoxy-1-[(2-methoxyphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol?
The InChIKey is ZYWYGZQVPGYRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-27-18-11-12-19-17(16-18)10-13-21(26)23(19)24(25-14-6-3-7-15-25)20-8-4-5-9-22(20)28-2/h4-5,8-13,16,24,26H,3,6-7,14-15H2,1-2H3.
What are the key properties of 6-methoxy-1-[(2-methoxyphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol?
6-methoxy-1-[(2-methoxyphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol has a molecular weight of 377.48 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-[(2-methoxyphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol is sourced from PubChem (CID 23500857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).