1-[(3,5-dimethylphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol

C24H27NO — CID 127028828

IUPAC1-[(3,5-dimethylphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol
SMILESCc1cc(C)cc(C(c2c(O)ccc3ccccc23)N2CCCCC2)c1
InChIInChI=1S/C24H27NO/c1-17-14-18(2)16-20(15-17)24(25-12-6-3-7-13-25)23-21-9-5-4-8-19(21)10-11-22(23)26/h4-5,8-11,14-16,24,26H,3,6-7,12-13H2,1-2H3
InChIKeyCZHIFCDMEPDAPO-UHFFFAOYSA-N
MW345.49 g/mol
LogP5.74
Rot. Bonds3

About 1-[(3,5-dimethylphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol

1-[(3,5-dimethylphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol (PubChem CID 127028828) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol
PubChem CID127028828
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC Name1-[(3,5-dimethylphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol
SMILESCc1cc(C)cc(C(c2c(O)ccc3ccccc23)N2CCCCC2)c1
InChIInChI=1S/C24H27NO/c1-17-14-18(2)16-20(15-17)24(25-12-6-3-7-13-25)23-21-9-5-4-8-19(21)10-11-22(23)26/h4-5,8-11,14-16,24,26H,3,6-7,12-13H2,1-2H3
InChIKeyCZHIFCDMEPDAPO-UHFFFAOYSA-N
XLogP5.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-[(3,5-dimethylphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol?
The IUPAC name of 1-[(3,5-dimethylphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol (CID 127028828) is 1-[(3,5-dimethylphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(3,5-dimethylphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol is Cc1cc(C)cc(C(c2c(O)ccc3ccccc23)N2CCCCC2)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol?
The InChIKey is CZHIFCDMEPDAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO/c1-17-14-18(2)16-20(15-17)24(25-12-6-3-7-13-25)23-21-9-5-4-8-19(21)10-11-22(23)26/h4-5,8-11,14-16,24,26H,3,6-7,12-13H2,1-2H3.
What are the key properties of 1-[(3,5-dimethylphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol?
1-[(3,5-dimethylphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol has a molecular weight of 345.49 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol is sourced from PubChem (CID 127028828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).