(5R,9R)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane

C14H19NO2 — CID 110160739

IUPAC(5R,9R)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane
SMILESc1ccc(CO[C@@H]2CNC[C@]23CCCO3)cc1
InChIInChI=1S/C14H19NO2/c1-2-5-12(6-3-1)10-16-13-9-15-11-14(13)7-4-8-17-14/h1-3,5-6,13,15H,4,7-11H2/t13-,14-/m1/s1
InChIKeyVXINLNHANGAZCL-ZIAGYGMSSA-N
MW233.31 g/mol
LogP1.72
Rot. Bonds3

About (5R,9R)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane

(5R,9R)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 110160739) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (5R,9R)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(5R,9R)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane
PubChem CID110160739
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(5R,9R)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane
SMILESc1ccc(CO[C@@H]2CNC[C@]23CCCO3)cc1
InChIInChI=1S/C14H19NO2/c1-2-5-12(6-3-1)10-16-13-9-15-11-14(13)7-4-8-17-14/h1-3,5-6,13,15H,4,7-11H2/t13-,14-/m1/s1
InChIKeyVXINLNHANGAZCL-ZIAGYGMSSA-N
XLogP1.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,9S)-7-(1H-imidazol-2-ylmethyl)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane
CID 110155638
(5S,6S)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane
CID 110159273
3-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1H-pyridin-2-one
CID 110156205
3-phenylmethoxyspiro[3.5]nonan-1-ol
CID 66366074
(5S,6S)-9-[(3-fluoro-2-pyridinyl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane
CID 110159382
[(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene
CID 101022105
2-[(5S,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 129453967
CID 125035502
CID 125035502
2-(phenylmethoxymethyl)-1-oxa-4-azaspiro[5.5]undecane
CID 65103450
N-naphthalen-1-yl-2-[(5S,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 129455060
2-[(5R,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 129455371
6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane)
CID 5051546

Frequently Asked Questions

What is the IUPAC name of (5R,9R)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of (5R,9R)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane (CID 110160739) is (5R,9R)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (5R,9R)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (5R,9R)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane is c1ccc(CO[C@@H]2CNC[C@]23CCCO3)cc1.
What is the InChIKey of (5R,9R)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is VXINLNHANGAZCL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-5-12(6-3-1)10-16-13-9-15-11-14(13)7-4-8-17-14/h1-3,5-6,13,15H,4,7-11H2/t13-,14-/m1/s1.
What are the key properties of (5R,9R)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane?
(5R,9R)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 233.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 110160739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).