(4-phenylpiperidin-4-yl) 2-hydroxynaphthalene-1-carboxylate

C22H21NO3 — CID 167314999

IUPAC(4-phenylpiperidin-4-yl) 2-hydroxynaphthalene-1-carboxylate
SMILESO=C(OC1(c2ccccc2)CCNCC1)c1c(O)ccc2ccccc12
InChIInChI=1S/C22H21NO3/c24-19-11-10-16-6-4-5-9-18(16)20(19)21(25)26-22(12-14-23-15-13-22)17-7-2-1-3-8-17/h1-11,23-24H,12-15H2
InChIKeyUXALCULZTXEBSE-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.98
Rot. Bonds3

About (4-phenylpiperidin-4-yl) 2-hydroxynaphthalene-1-carboxylate

(4-phenylpiperidin-4-yl) 2-hydroxynaphthalene-1-carboxylate (PubChem CID 167314999) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is (4-phenylpiperidin-4-yl) 2-hydroxynaphthalene-1-carboxylate.

Molecular Properties

Compound Name(4-phenylpiperidin-4-yl) 2-hydroxynaphthalene-1-carboxylate
PubChem CID167314999
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name(4-phenylpiperidin-4-yl) 2-hydroxynaphthalene-1-carboxylate
SMILESO=C(OC1(c2ccccc2)CCNCC1)c1c(O)ccc2ccccc12
InChIInChI=1S/C22H21NO3/c24-19-11-10-16-6-4-5-9-18(16)20(19)21(25)26-22(12-14-23-15-13-22)17-7-2-1-3-8-17/h1-11,23-24H,12-15H2
InChIKeyUXALCULZTXEBSE-UHFFFAOYSA-N
XLogP3.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperidin-4-yl) 2-hydroxynaphthalene-1-carboxylate?
The IUPAC name of (4-phenylpiperidin-4-yl) 2-hydroxynaphthalene-1-carboxylate (CID 167314999) is (4-phenylpiperidin-4-yl) 2-hydroxynaphthalene-1-carboxylate.
What is the SMILES notation for (4-phenylpiperidin-4-yl) 2-hydroxynaphthalene-1-carboxylate?
The canonical SMILES for (4-phenylpiperidin-4-yl) 2-hydroxynaphthalene-1-carboxylate is O=C(OC1(c2ccccc2)CCNCC1)c1c(O)ccc2ccccc12.
What is the InChIKey of (4-phenylpiperidin-4-yl) 2-hydroxynaphthalene-1-carboxylate?
The InChIKey is UXALCULZTXEBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c24-19-11-10-16-6-4-5-9-18(16)20(19)21(25)26-22(12-14-23-15-13-22)17-7-2-1-3-8-17/h1-11,23-24H,12-15H2.
What are the key properties of (4-phenylpiperidin-4-yl) 2-hydroxynaphthalene-1-carboxylate?
(4-phenylpiperidin-4-yl) 2-hydroxynaphthalene-1-carboxylate has a molecular weight of 347.41 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperidin-4-yl) 2-hydroxynaphthalene-1-carboxylate is sourced from PubChem (CID 167314999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).