(2R,4R,5S)-1,2,5-trimethyl-4-(2-naphthalen-1-ylethynyl)piperidin-4-ol

C20H23NO — CID 92860478

IUPAC(2R,4R,5S)-1,2,5-trimethyl-4-(2-naphthalen-1-ylethynyl)piperidin-4-ol
SMILESC[C@@H]1C[C@](O)(C#Cc2cccc3ccccc23)[C@@H](C)CN1C
InChIInChI=1S/C20H23NO/c1-15-14-21(3)16(2)13-20(15,22)12-11-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,15-16,22H,13-14H2,1-3H3/t15-,16+,20+/m0/s1
InChIKeyUATGXLFLKRXZBK-RZQQEMMASA-N
MW293.41 g/mol
LogP3.28
Rot. Bonds

About (2R,4R,5S)-1,2,5-trimethyl-4-(2-naphthalen-1-ylethynyl)piperidin-4-ol

(2R,4R,5S)-1,2,5-trimethyl-4-(2-naphthalen-1-ylethynyl)piperidin-4-ol (PubChem CID 92860478) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (2R,4R,5S)-1,2,5-trimethyl-4-(2-naphthalen-1-ylethynyl)piperidin-4-ol.

Molecular Properties

Compound Name(2R,4R,5S)-1,2,5-trimethyl-4-(2-naphthalen-1-ylethynyl)piperidin-4-ol
PubChem CID92860478
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(2R,4R,5S)-1,2,5-trimethyl-4-(2-naphthalen-1-ylethynyl)piperidin-4-ol
SMILESC[C@@H]1C[C@](O)(C#Cc2cccc3ccccc23)[C@@H](C)CN1C
InChIInChI=1S/C20H23NO/c1-15-14-21(3)16(2)13-20(15,22)12-11-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,15-16,22H,13-14H2,1-3H3/t15-,16+,20+/m0/s1
InChIKeyUATGXLFLKRXZBK-RZQQEMMASA-N
XLogP3.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S)-1,2,5-trimethyl-4-(2-naphthalen-1-ylethynyl)piperidin-4-ol?
The IUPAC name of (2R,4R,5S)-1,2,5-trimethyl-4-(2-naphthalen-1-ylethynyl)piperidin-4-ol (CID 92860478) is (2R,4R,5S)-1,2,5-trimethyl-4-(2-naphthalen-1-ylethynyl)piperidin-4-ol.
What is the SMILES notation for (2R,4R,5S)-1,2,5-trimethyl-4-(2-naphthalen-1-ylethynyl)piperidin-4-ol?
The canonical SMILES for (2R,4R,5S)-1,2,5-trimethyl-4-(2-naphthalen-1-ylethynyl)piperidin-4-ol is C[C@@H]1C[C@](O)(C#Cc2cccc3ccccc23)[C@@H](C)CN1C.
What is the InChIKey of (2R,4R,5S)-1,2,5-trimethyl-4-(2-naphthalen-1-ylethynyl)piperidin-4-ol?
The InChIKey is UATGXLFLKRXZBK-RZQQEMMASA-N. The full InChI is InChI=1S/C20H23NO/c1-15-14-21(3)16(2)13-20(15,22)12-11-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,15-16,22H,13-14H2,1-3H3/t15-,16+,20+/m0/s1.
What are the key properties of (2R,4R,5S)-1,2,5-trimethyl-4-(2-naphthalen-1-ylethynyl)piperidin-4-ol?
(2R,4R,5S)-1,2,5-trimethyl-4-(2-naphthalen-1-ylethynyl)piperidin-4-ol has a molecular weight of 293.41 g/mol, XLogP of 3.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5S)-1,2,5-trimethyl-4-(2-naphthalen-1-ylethynyl)piperidin-4-ol is sourced from PubChem (CID 92860478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).