2-[(4-methylpiperidin-1-yl)-naphthalen-2-ylmethyl]phenol

C23H25NO — CID 102327496

IUPAC2-[(4-methylpiperidin-1-yl)-naphthalen-2-ylmethyl]phenol
SMILESCC1CCN(C(c2ccc3ccccc3c2)c2ccccc2O)CC1
InChIInChI=1S/C23H25NO/c1-17-12-14-24(15-13-17)23(21-8-4-5-9-22(21)25)20-11-10-18-6-2-3-7-19(18)16-20/h2-11,16-17,23,25H,12-15H2,1H3
InChIKeyFVVIWJDSEYHQSE-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.37
Rot. Bonds3

About 2-[(4-methylpiperidin-1-yl)-naphthalen-2-ylmethyl]phenol

2-[(4-methylpiperidin-1-yl)-naphthalen-2-ylmethyl]phenol (PubChem CID 102327496) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[(4-methylpiperidin-1-yl)-naphthalen-2-ylmethyl]phenol.

Molecular Properties

Compound Name2-[(4-methylpiperidin-1-yl)-naphthalen-2-ylmethyl]phenol
PubChem CID102327496
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name2-[(4-methylpiperidin-1-yl)-naphthalen-2-ylmethyl]phenol
SMILESCC1CCN(C(c2ccc3ccccc3c2)c2ccccc2O)CC1
InChIInChI=1S/C23H25NO/c1-17-12-14-24(15-13-17)23(21-8-4-5-9-22(21)25)20-11-10-18-6-2-3-7-19(18)16-20/h2-11,16-17,23,25H,12-15H2,1H3
InChIKeyFVVIWJDSEYHQSE-UHFFFAOYSA-N
XLogP5.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.37
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 2-[(4-methylpiperidin-1-yl)-naphthalen-2-ylmethyl]phenol?
The IUPAC name of 2-[(4-methylpiperidin-1-yl)-naphthalen-2-ylmethyl]phenol (CID 102327496) is 2-[(4-methylpiperidin-1-yl)-naphthalen-2-ylmethyl]phenol.
What is the SMILES notation for 2-[(4-methylpiperidin-1-yl)-naphthalen-2-ylmethyl]phenol?
The canonical SMILES for 2-[(4-methylpiperidin-1-yl)-naphthalen-2-ylmethyl]phenol is CC1CCN(C(c2ccc3ccccc3c2)c2ccccc2O)CC1.
What is the InChIKey of 2-[(4-methylpiperidin-1-yl)-naphthalen-2-ylmethyl]phenol?
The InChIKey is FVVIWJDSEYHQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c1-17-12-14-24(15-13-17)23(21-8-4-5-9-22(21)25)20-11-10-18-6-2-3-7-19(18)16-20/h2-11,16-17,23,25H,12-15H2,1H3.
What are the key properties of 2-[(4-methylpiperidin-1-yl)-naphthalen-2-ylmethyl]phenol?
2-[(4-methylpiperidin-1-yl)-naphthalen-2-ylmethyl]phenol has a molecular weight of 331.46 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperidin-1-yl)-naphthalen-2-ylmethyl]phenol is sourced from PubChem (CID 102327496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).