(5R)-9-(2-phenoxyethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol

C17H25NO3 — CID 124965240

IUPAC(5R)-9-(2-phenoxyethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESO[C@@H]1CCCOC12CCN(CCOc1ccccc1)CC2
InChIInChI=1S/C17H25NO3/c19-16-7-4-13-21-17(16)8-10-18(11-9-17)12-14-20-15-5-2-1-3-6-15/h1-3,5-6,16,19H,4,7-14H2/t16-/m1/s1
InChIKeyIDIGZMPINRWGRO-MRXNPFEDSA-N
MW291.39 g/mol
LogP2.07
Rot. Bonds4

About (5R)-9-(2-phenoxyethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol

(5R)-9-(2-phenoxyethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol (PubChem CID 124965240) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (5R)-9-(2-phenoxyethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol.

Molecular Properties

Compound Name(5R)-9-(2-phenoxyethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
PubChem CID124965240
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(5R)-9-(2-phenoxyethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESO[C@@H]1CCCOC12CCN(CCOc1ccccc1)CC2
InChIInChI=1S/C17H25NO3/c19-16-7-4-13-21-17(16)8-10-18(11-9-17)12-14-20-15-5-2-1-3-6-15/h1-3,5-6,16,19H,4,7-14H2/t16-/m1/s1
InChIKeyIDIGZMPINRWGRO-MRXNPFEDSA-N
XLogP2.07
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(3-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 175657618
4-(aminomethyl)-1-(2-phenoxyethyl)piperidin-4-ol
CID 95461531
[3-(2-aminoethoxy)phenyl]-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 110156835
(5S)-9-[(2,6-dimethoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 125011061
(5R)-9-(quinolin-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 124953153
(5S)-9-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 99932500
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
1-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]cyclohexan-1-ol
CID 110905104
3-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propanamide
CID 124954905
2-(3-fluorophenoxy)-1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 72939846
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone
CID 110156877
9-[[6-(dimethylamino)-3-pyridinyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72839956

Frequently Asked Questions

What is the IUPAC name of (5R)-9-(2-phenoxyethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The IUPAC name of (5R)-9-(2-phenoxyethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol (CID 124965240) is (5R)-9-(2-phenoxyethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol.
What is the SMILES notation for (5R)-9-(2-phenoxyethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The canonical SMILES for (5R)-9-(2-phenoxyethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol is O[C@@H]1CCCOC12CCN(CCOc1ccccc1)CC2.
What is the InChIKey of (5R)-9-(2-phenoxyethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The InChIKey is IDIGZMPINRWGRO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25NO3/c19-16-7-4-13-21-17(16)8-10-18(11-9-17)12-14-20-15-5-2-1-3-6-15/h1-3,5-6,16,19H,4,7-14H2/t16-/m1/s1.
What are the key properties of (5R)-9-(2-phenoxyethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
(5R)-9-(2-phenoxyethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol has a molecular weight of 291.39 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(2-phenoxyethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol is sourced from PubChem (CID 124965240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).