(2R)-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)phenoxy]-3-piperidin-1-ylpropan-2-ol

C23H36N2O3 — CID 97274933

IUPAC(2R)-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)phenoxy]-3-piperidin-1-ylpropan-2-ol
SMILESO[C@@H](COc1ccccc1CN1CCOC2(CCCC2)C1)CN1CCCCC1
InChIInChI=1S/C23H36N2O3/c26-21(17-24-12-6-1-7-13-24)18-27-22-9-3-2-8-20(22)16-25-14-15-28-23(19-25)10-4-5-11-23/h2-3,8-9,21,26H,1,4-7,10-19H2/t21-/m1/s1
InChIKeyUNQFDXGNAXOPOW-OAQYLSRUSA-N
MW388.55 g/mol
LogP3.06
Rot. Bonds7

About (2R)-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)phenoxy]-3-piperidin-1-ylpropan-2-ol

(2R)-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)phenoxy]-3-piperidin-1-ylpropan-2-ol (PubChem CID 97274933) has the molecular formula C23H36N2O3 and a molecular weight of 388.55 g/mol. Its IUPAC name is (2R)-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)phenoxy]-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)phenoxy]-3-piperidin-1-ylpropan-2-ol
PubChem CID97274933
Molecular FormulaC23H36N2O3
Molecular Weight388.55 g/mol
Exact Mass388.27
IUPAC Name(2R)-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)phenoxy]-3-piperidin-1-ylpropan-2-ol
SMILESO[C@@H](COc1ccccc1CN1CCOC2(CCCC2)C1)CN1CCCCC1
InChIInChI=1S/C23H36N2O3/c26-21(17-24-12-6-1-7-13-24)18-27-22-9-3-2-8-20(22)16-25-14-15-28-23(19-25)10-4-5-11-23/h2-3,8-9,21,26H,1,4-7,10-19H2/t21-/m1/s1
InChIKeyUNQFDXGNAXOPOW-OAQYLSRUSA-N
XLogP3.06
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)phenoxy]-3-piperidin-1-ylpropan-2-ol with MolForge

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Related Compounds

(2R)-1-[2-(piperidin-1-ylmethyl)phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 97280232
1-[4-[[2-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 97285514
1-[[2-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]piperidine-4-carbonitrile
CID 97272514
3-[4-[[2-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]piperazin-1-yl]propanamide
CID 29218545
1-[2-[[(1-phenylcyclopropyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 45246484
1-[[2-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]piperidine-4-carbonitrile
CID 97272513
(2R)-1-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 97268684
(2R)-1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 2141702
1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 16807396
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol
CID 72898537
(2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol
CID 808358
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)phenoxy]-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)phenoxy]-3-piperidin-1-ylpropan-2-ol (CID 97274933) is (2R)-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)phenoxy]-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)phenoxy]-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)phenoxy]-3-piperidin-1-ylpropan-2-ol is O[C@@H](COc1ccccc1CN1CCOC2(CCCC2)C1)CN1CCCCC1.
What is the InChIKey of (2R)-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)phenoxy]-3-piperidin-1-ylpropan-2-ol?
The InChIKey is UNQFDXGNAXOPOW-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H36N2O3/c26-21(17-24-12-6-1-7-13-24)18-27-22-9-3-2-8-20(22)16-25-14-15-28-23(19-25)10-4-5-11-23/h2-3,8-9,21,26H,1,4-7,10-19H2/t21-/m1/s1.
What are the key properties of (2R)-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)phenoxy]-3-piperidin-1-ylpropan-2-ol?
(2R)-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)phenoxy]-3-piperidin-1-ylpropan-2-ol has a molecular weight of 388.55 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)phenoxy]-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 97274933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).