(2S,4R)-2-ethyl-9-pyridin-4-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol

C16H24N2O2 — CID 154568041

IUPAC(2S,4R)-2-ethyl-9-pyridin-4-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESCC[C@H]1C[C@@H](O)CC2(CCN(c3ccncc3)CC2)O1
InChIInChI=1S/C16H24N2O2/c1-2-15-11-14(19)12-16(20-15)5-9-18(10-6-16)13-3-7-17-8-4-13/h3-4,7-8,14-15,19H,2,5-6,9-12H2,1H3/t14-,15+/m1/s1
InChIKeyCWVNVUNOZMIPKW-CABCVRRESA-N
MW276.38 g/mol
LogP2.37
Rot. Bonds2

About (2S,4R)-2-ethyl-9-pyridin-4-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol

(2S,4R)-2-ethyl-9-pyridin-4-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol (PubChem CID 154568041) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S,4R)-2-ethyl-9-pyridin-4-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name(2S,4R)-2-ethyl-9-pyridin-4-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol
PubChem CID154568041
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2S,4R)-2-ethyl-9-pyridin-4-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESCC[C@H]1C[C@@H](O)CC2(CCN(c3ccncc3)CC2)O1
InChIInChI=1S/C16H24N2O2/c1-2-15-11-14(19)12-16(20-15)5-9-18(10-6-16)13-3-7-17-8-4-13/h3-4,7-8,14-15,19H,2,5-6,9-12H2,1H3/t14-,15+/m1/s1
InChIKeyCWVNVUNOZMIPKW-CABCVRRESA-N
XLogP2.37
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-ethyl-9-pyridin-4-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The IUPAC name of (2S,4R)-2-ethyl-9-pyridin-4-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol (CID 154568041) is (2S,4R)-2-ethyl-9-pyridin-4-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol.
What is the SMILES notation for (2S,4R)-2-ethyl-9-pyridin-4-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The canonical SMILES for (2S,4R)-2-ethyl-9-pyridin-4-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol is CC[C@H]1C[C@@H](O)CC2(CCN(c3ccncc3)CC2)O1.
What is the InChIKey of (2S,4R)-2-ethyl-9-pyridin-4-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The InChIKey is CWVNVUNOZMIPKW-CABCVRRESA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-15-11-14(19)12-16(20-15)5-9-18(10-6-16)13-3-7-17-8-4-13/h3-4,7-8,14-15,19H,2,5-6,9-12H2,1H3/t14-,15+/m1/s1.
What are the key properties of (2S,4R)-2-ethyl-9-pyridin-4-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
(2S,4R)-2-ethyl-9-pyridin-4-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol has a molecular weight of 276.38 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-ethyl-9-pyridin-4-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 154568041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).