(3R,4R)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine

C22H23NO — CID 70789272

IUPAC(3R,4R)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine
SMILESc1ccc([C@H]2CCNC[C@@H]2OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H23NO/c1-2-7-19(8-3-1)21-12-13-23-15-22(21)24-16-17-10-11-18-6-4-5-9-20(18)14-17/h1-11,14,21-23H,12-13,15-16H2/t21-,22+/m1/s1
InChIKeyCLTKEDPZPCYCIO-YADHBBJMSA-N
MW317.43 g/mol
LogP4.50
Rot. Bonds4

About (3R,4R)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine

(3R,4R)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine (PubChem CID 70789272) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is (3R,4R)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine.

Molecular Properties

Compound Name(3R,4R)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine
PubChem CID70789272
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name(3R,4R)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine
SMILESc1ccc([C@H]2CCNC[C@@H]2OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H23NO/c1-2-7-19(8-3-1)21-12-13-23-15-22(21)24-16-17-10-11-18-6-4-5-9-20(18)14-17/h1-11,14,21-23H,12-13,15-16H2/t21-,22+/m1/s1
InChIKeyCLTKEDPZPCYCIO-YADHBBJMSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine?
The IUPAC name of (3R,4R)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine (CID 70789272) is (3R,4R)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine.
What is the SMILES notation for (3R,4R)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine?
The canonical SMILES for (3R,4R)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine is c1ccc([C@H]2CCNC[C@@H]2OCc2ccc3ccccc3c2)cc1.
What is the InChIKey of (3R,4R)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine?
The InChIKey is CLTKEDPZPCYCIO-YADHBBJMSA-N. The full InChI is InChI=1S/C22H23NO/c1-2-7-19(8-3-1)21-12-13-23-15-22(21)24-16-17-10-11-18-6-4-5-9-20(18)14-17/h1-11,14,21-23H,12-13,15-16H2/t21-,22+/m1/s1.
What are the key properties of (3R,4R)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine?
(3R,4R)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine has a molecular weight of 317.43 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine is sourced from PubChem (CID 70789272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).