2-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]ethanol

C19H29NO3 — CID 135104434

IUPAC2-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]ethanol
SMILESCO[C@@H]1CCC[C@@]12CCCN(Cc1ccc(OCCO)cc1)C2
InChIInChI=1S/C19H29NO3/c1-22-18-4-2-9-19(18)10-3-11-20(15-19)14-16-5-7-17(8-6-16)23-13-12-21/h5-8,18,21H,2-4,9-15H2,1H3/t18-,19+/m1/s1
InChIKeyRQUVVAPMAYXENZ-MOPGFXCFSA-N
MW319.45 g/mol
LogP2.84
Rot. Bonds6

About 2-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]ethanol

2-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]ethanol (PubChem CID 135104434) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]ethanol
PubChem CID135104434
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name2-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]ethanol
SMILESCO[C@@H]1CCC[C@@]12CCCN(Cc1ccc(OCCO)cc1)C2
InChIInChI=1S/C19H29NO3/c1-22-18-4-2-9-19(18)10-3-11-20(15-19)14-16-5-7-17(8-6-16)23-13-12-21/h5-8,18,21H,2-4,9-15H2,1H3/t18-,19+/m1/s1
InChIKeyRQUVVAPMAYXENZ-MOPGFXCFSA-N
XLogP2.84
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]ethanol with MolForge

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Related Compounds

4-[3-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]propyl]morpholine
CID 135096793
(4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135089438
(4R,5R)-4-methoxy-7-[(4-pyridin-2-ylphenyl)methyl]-7-azaspiro[4.5]decane
CID 165427222
(4R,5R)-4-methoxy-7-[[4-(3-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decane
CID 166619064
4-[3-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]propoxy]benzoic acid
CID 135094667
(4R,5R)-7-[(5-ethylthiophen-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135105548
3-[5-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 135089383
(4R,5R)-7-[(2-chloro-4-methylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135105810
(4R,5R)-7-[(2-chloro-5-fluorophenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135091609
3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyridin-2-one
CID 165421706
formic acid;(4R,5R)-7-[[4-(2-phenylethoxy)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol
CID 154918583
8-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]quinoline
CID 165423233

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]ethanol?
The IUPAC name of 2-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]ethanol (CID 135104434) is 2-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]ethanol is CO[C@@H]1CCC[C@@]12CCCN(Cc1ccc(OCCO)cc1)C2.
What is the InChIKey of 2-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]ethanol?
The InChIKey is RQUVVAPMAYXENZ-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H29NO3/c1-22-18-4-2-9-19(18)10-3-11-20(15-19)14-16-5-7-17(8-6-16)23-13-12-21/h5-8,18,21H,2-4,9-15H2,1H3/t18-,19+/m1/s1.
What are the key properties of 2-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]ethanol?
2-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]ethanol has a molecular weight of 319.45 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]ethanol is sourced from PubChem (CID 135104434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).