(5S,6S)-8-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol

C17H25NO4 — CID 110156656

IUPAC(5S,6S)-8-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
SMILESOCCOc1cccc(CN2CC[C@@]3(CCCO3)[C@@H](O)C2)c1
InChIInChI=1S/C17H25NO4/c19-8-10-21-15-4-1-3-14(11-15)12-18-7-6-17(16(20)13-18)5-2-9-22-17/h1,3-4,11,16,19-20H,2,5-10,12-13H2/t16-,17-/m0/s1
InChIKeyAZMIYUGCEUHCLU-IRXDYDNUSA-N
MW307.39 g/mol
LogP1.17
Rot. Bonds5

About (5S,6S)-8-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol

(5S,6S)-8-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol (PubChem CID 110156656) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is (5S,6S)-8-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol.

Molecular Properties

Compound Name(5S,6S)-8-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
PubChem CID110156656
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name(5S,6S)-8-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
SMILESOCCOc1cccc(CN2CC[C@@]3(CCCO3)[C@@H](O)C2)c1
InChIInChI=1S/C17H25NO4/c19-8-10-21-15-4-1-3-14(11-15)12-18-7-6-17(16(20)13-18)5-2-9-22-17/h1,3-4,11,16,19-20H,2,5-10,12-13H2/t16-,17-/m0/s1
InChIKeyAZMIYUGCEUHCLU-IRXDYDNUSA-N
XLogP1.17
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5S,6S)-8-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110156761
9-[(3-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 175657618
(5S,6S)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110156016
2-[3-(9-oxa-2-azaspiro[5.5]undecan-2-ylmethyl)phenoxy]ethanol
CID 74233599
2-[1-cyclohexyl-4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 45233355
2-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol
CID 45226674
(5R)-9-(2-phenoxyethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 124965240
3-[(3R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]benzoic acid
CID 97197480
(3R,4S)-4-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1,4-diazepan-1-yl]oxolan-3-ol
CID 74251336
2-[3-[[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]phenoxy]ethanol
CID 124963457
(5S,6S)-8-[(3-methyl-4-pyridinyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110155900
(5S,6S)-8-[(4-chloro-2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110159623

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-8-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol?
The IUPAC name of (5S,6S)-8-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol (CID 110156656) is (5S,6S)-8-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol.
What is the SMILES notation for (5S,6S)-8-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol?
The canonical SMILES for (5S,6S)-8-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol is OCCOc1cccc(CN2CC[C@@]3(CCCO3)[C@@H](O)C2)c1.
What is the InChIKey of (5S,6S)-8-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol?
The InChIKey is AZMIYUGCEUHCLU-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H25NO4/c19-8-10-21-15-4-1-3-14(11-15)12-18-7-6-17(16(20)13-18)5-2-9-22-17/h1,3-4,11,16,19-20H,2,5-10,12-13H2/t16-,17-/m0/s1.
What are the key properties of (5S,6S)-8-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol?
(5S,6S)-8-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol has a molecular weight of 307.39 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-8-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol is sourced from PubChem (CID 110156656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).