(5-fluoro-2-pyridinyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanol

C22H28FN3O2 — CID 135314413

IUPAC(5-fluoro-2-pyridinyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanol
SMILESOC(c1ccc(F)cn1)N1CCOC2(CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C22H28FN3O2/c23-19-6-7-20(24-16-19)21(27)26-14-15-28-22(17-26)9-12-25(13-10-22)11-8-18-4-2-1-3-5-18/h1-7,16,21,27H,8-15,17H2
InChIKeyAKZLVJZDGFBOIM-UHFFFAOYSA-N
MW385.48 g/mol
LogP2.62
Rot. Bonds5

About (5-fluoro-2-pyridinyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanol

(5-fluoro-2-pyridinyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanol (PubChem CID 135314413) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is (5-fluoro-2-pyridinyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanol.

Molecular Properties

Compound Name(5-fluoro-2-pyridinyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanol
PubChem CID135314413
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC Name(5-fluoro-2-pyridinyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanol
SMILESOC(c1ccc(F)cn1)N1CCOC2(CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C22H28FN3O2/c23-19-6-7-20(24-16-19)21(27)26-14-15-28-22(17-26)9-12-25(13-10-22)11-8-18-4-2-1-3-5-18/h1-7,16,21,27H,8-15,17H2
InChIKeyAKZLVJZDGFBOIM-UHFFFAOYSA-N
XLogP2.62
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-fluoro-2-pyridinyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanol with MolForge

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Related Compounds

4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 118562539
[9-[2-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-phenylmethanol
CID 130223130
[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-2-yl)methanone
CID 118562197
(5-fluoro-2-pyridinyl)-[2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 118562243
4-(4-fluorophenyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562454
N-cyclopropyl-N-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 118570199
4-(difluoromethyl)-1-(2-phenylethyl)piperidin-4-ol
CID 80604289
13-phenyl-7-(2-phenylethyl)-4-oxa-7,13-diazaspiro[2.11]tetradecane
CID 145297728
(3-methoxyphenyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 118562293
6-[3-(2-phenylethoxy)propyl]-1-oxa-6-azaspiro[2.5]octane
CID 87590661
9-(2-phenylethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 57186218
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-pyridinyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanol?
The IUPAC name of (5-fluoro-2-pyridinyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanol (CID 135314413) is (5-fluoro-2-pyridinyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanol.
What is the SMILES notation for (5-fluoro-2-pyridinyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanol?
The canonical SMILES for (5-fluoro-2-pyridinyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanol is OC(c1ccc(F)cn1)N1CCOC2(CCN(CCc3ccccc3)CC2)C1.
What is the InChIKey of (5-fluoro-2-pyridinyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanol?
The InChIKey is AKZLVJZDGFBOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c23-19-6-7-20(24-16-19)21(27)26-14-15-28-22(17-26)9-12-25(13-10-22)11-8-18-4-2-1-3-5-18/h1-7,16,21,27H,8-15,17H2.
What are the key properties of (5-fluoro-2-pyridinyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanol?
(5-fluoro-2-pyridinyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanol has a molecular weight of 385.48 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-pyridinyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanol is sourced from PubChem (CID 135314413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).