(2S,4S)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol

C15H21NO2 — CID 141372126

IUPAC(2S,4S)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESO[C@H]1C[C@@H](c2ccccc2)OC2(CCNCC2)C1
InChIInChI=1S/C15H21NO2/c17-13-10-14(12-4-2-1-3-5-12)18-15(11-13)6-8-16-9-7-15/h1-5,13-14,16-17H,6-11H2/t13-,14-/m0/s1
InChIKeyDADHNROEDOHAQH-KBPBESRZSA-N
MW247.34 g/mol
LogP2.02
Rot. Bonds1

About (2S,4S)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol

(2S,4S)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol (PubChem CID 141372126) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2S,4S)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name(2S,4S)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
PubChem CID141372126
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2S,4S)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESO[C@H]1C[C@@H](c2ccccc2)OC2(CCNCC2)C1
InChIInChI=1S/C15H21NO2/c17-13-10-14(12-4-2-1-3-5-12)18-15(11-13)6-8-16-9-7-15/h1-5,13-14,16-17H,6-11H2/t13-,14-/m0/s1
InChIKeyDADHNROEDOHAQH-KBPBESRZSA-N
XLogP2.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The IUPAC name of (2S,4S)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol (CID 141372126) is (2S,4S)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol.
What is the SMILES notation for (2S,4S)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The canonical SMILES for (2S,4S)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol is O[C@H]1C[C@@H](c2ccccc2)OC2(CCNCC2)C1.
What is the InChIKey of (2S,4S)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The InChIKey is DADHNROEDOHAQH-KBPBESRZSA-N. The full InChI is InChI=1S/C15H21NO2/c17-13-10-14(12-4-2-1-3-5-12)18-15(11-13)6-8-16-9-7-15/h1-5,13-14,16-17H,6-11H2/t13-,14-/m0/s1.
What are the key properties of (2S,4S)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
(2S,4S)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol has a molecular weight of 247.34 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 141372126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).