7-methoxy-1-[(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]naphthalen-2-ol

C23H26N2O2 — CID 127029149

IUPAC7-methoxy-1-[(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]naphthalen-2-ol
SMILESCOc1ccc2ccc(O)c(C(c3ccccn3)N3CCC(C)CC3)c2c1
InChIInChI=1S/C23H26N2O2/c1-16-10-13-25(14-11-16)23(20-5-3-4-12-24-20)22-19-15-18(27-2)8-6-17(19)7-9-21(22)26/h3-9,12,15-16,23,26H,10-11,13-14H2,1-2H3
InChIKeyIAHSMIHINPJUKE-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.77
Rot. Bonds4

About 7-methoxy-1-[(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]naphthalen-2-ol

7-methoxy-1-[(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]naphthalen-2-ol (PubChem CID 127029149) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 7-methoxy-1-[(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]naphthalen-2-ol.

Molecular Properties

Compound Name7-methoxy-1-[(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]naphthalen-2-ol
PubChem CID127029149
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name7-methoxy-1-[(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]naphthalen-2-ol
SMILESCOc1ccc2ccc(O)c(C(c3ccccn3)N3CCC(C)CC3)c2c1
InChIInChI=1S/C23H26N2O2/c1-16-10-13-25(14-11-16)23(20-5-3-4-12-24-20)22-19-15-18(27-2)8-6-17(19)7-9-21(22)26/h3-9,12,15-16,23,26H,10-11,13-14H2,1-2H3
InChIKeyIAHSMIHINPJUKE-UHFFFAOYSA-N
XLogP4.77
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.77
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 7-methoxy-1-[(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]naphthalen-2-ol?
The IUPAC name of 7-methoxy-1-[(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]naphthalen-2-ol (CID 127029149) is 7-methoxy-1-[(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]naphthalen-2-ol.
What is the SMILES notation for 7-methoxy-1-[(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]naphthalen-2-ol?
The canonical SMILES for 7-methoxy-1-[(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]naphthalen-2-ol is COc1ccc2ccc(O)c(C(c3ccccn3)N3CCC(C)CC3)c2c1.
What is the InChIKey of 7-methoxy-1-[(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]naphthalen-2-ol?
The InChIKey is IAHSMIHINPJUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16-10-13-25(14-11-16)23(20-5-3-4-12-24-20)22-19-15-18(27-2)8-6-17(19)7-9-21(22)26/h3-9,12,15-16,23,26H,10-11,13-14H2,1-2H3.
What are the key properties of 7-methoxy-1-[(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]naphthalen-2-ol?
7-methoxy-1-[(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]naphthalen-2-ol has a molecular weight of 362.47 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-[(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]naphthalen-2-ol is sourced from PubChem (CID 127029149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).