[(2R,6S,8R)-10-benzyl-2-(hydroxymethyl)-1,4,7-trioxa-10-azaspiro[5.5]undecan-8-yl]methanol

C16H23NO5 — CID 100975653

IUPAC[(2R,6S,8R)-10-benzyl-2-(hydroxymethyl)-1,4,7-trioxa-10-azaspiro[5.5]undecan-8-yl]methanol
SMILESOC[C@@H]1COC[C@]2(CN(Cc3ccccc3)C[C@H](CO)O2)O1
InChIInChI=1S/C16H23NO5/c18-8-14-7-17(6-13-4-2-1-3-5-13)11-16(21-14)12-20-10-15(9-19)22-16/h1-5,14-15,18-19H,6-12H2/t14-,15-,16+/m1/s1
InChIKeyCWPOWARHYMDSQI-OAGGEKHMSA-N
MW309.36 g/mol
LogP-0.02
Rot. Bonds4

About [(2R,6S,8R)-10-benzyl-2-(hydroxymethyl)-1,4,7-trioxa-10-azaspiro[5.5]undecan-8-yl]methanol

[(2R,6S,8R)-10-benzyl-2-(hydroxymethyl)-1,4,7-trioxa-10-azaspiro[5.5]undecan-8-yl]methanol (PubChem CID 100975653) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is [(2R,6S,8R)-10-benzyl-2-(hydroxymethyl)-1,4,7-trioxa-10-azaspiro[5.5]undecan-8-yl]methanol.

Molecular Properties

Compound Name[(2R,6S,8R)-10-benzyl-2-(hydroxymethyl)-1,4,7-trioxa-10-azaspiro[5.5]undecan-8-yl]methanol
PubChem CID100975653
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name[(2R,6S,8R)-10-benzyl-2-(hydroxymethyl)-1,4,7-trioxa-10-azaspiro[5.5]undecan-8-yl]methanol
SMILESOC[C@@H]1COC[C@]2(CN(Cc3ccccc3)C[C@H](CO)O2)O1
InChIInChI=1S/C16H23NO5/c18-8-14-7-17(6-13-4-2-1-3-5-13)11-16(21-14)12-20-10-15(9-19)22-16/h1-5,14-15,18-19H,6-12H2/t14-,15-,16+/m1/s1
InChIKeyCWPOWARHYMDSQI-OAGGEKHMSA-N
XLogP-0.02
TPSA71.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R,6S,8R)-10-benzyl-2-(hydroxymethyl)-1,4,7-trioxa-10-azaspiro[5.5]undecan-8-yl]methanol with MolForge

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Related Compounds

(11-benzyl-1,4,8-trioxa-11-azadispiro[4.1.57.35]pentadecan-9-yl)methanol
CID 139384919
(8-benzyl-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol
CID 70588218
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
3-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzoic acid
CID 114777343
[(2S,6S)-4-benzyl-6-cyclopropylmorpholin-2-yl]methanol
CID 139343303
4-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzoic acid
CID 114777324
[6,6-dimethyl-4-(2-phenylethyl)morpholin-2-yl]methanol
CID 114779799
(6R)-4-benzyl-6-(bromomethyl)-2,2-dimethylmorpholine
CID 154725513
[4-benzyl-6-(trifluoromethyl)morpholin-2-yl]methanol
CID 171374338
5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carbonitrile
CID 19960963
[1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol
CID 130151390
(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methanol
CID 22744409

Frequently Asked Questions

What is the IUPAC name of [(2R,6S,8R)-10-benzyl-2-(hydroxymethyl)-1,4,7-trioxa-10-azaspiro[5.5]undecan-8-yl]methanol?
The IUPAC name of [(2R,6S,8R)-10-benzyl-2-(hydroxymethyl)-1,4,7-trioxa-10-azaspiro[5.5]undecan-8-yl]methanol (CID 100975653) is [(2R,6S,8R)-10-benzyl-2-(hydroxymethyl)-1,4,7-trioxa-10-azaspiro[5.5]undecan-8-yl]methanol.
What is the SMILES notation for [(2R,6S,8R)-10-benzyl-2-(hydroxymethyl)-1,4,7-trioxa-10-azaspiro[5.5]undecan-8-yl]methanol?
The canonical SMILES for [(2R,6S,8R)-10-benzyl-2-(hydroxymethyl)-1,4,7-trioxa-10-azaspiro[5.5]undecan-8-yl]methanol is OC[C@@H]1COC[C@]2(CN(Cc3ccccc3)C[C@H](CO)O2)O1.
What is the InChIKey of [(2R,6S,8R)-10-benzyl-2-(hydroxymethyl)-1,4,7-trioxa-10-azaspiro[5.5]undecan-8-yl]methanol?
The InChIKey is CWPOWARHYMDSQI-OAGGEKHMSA-N. The full InChI is InChI=1S/C16H23NO5/c18-8-14-7-17(6-13-4-2-1-3-5-13)11-16(21-14)12-20-10-15(9-19)22-16/h1-5,14-15,18-19H,6-12H2/t14-,15-,16+/m1/s1.
What are the key properties of [(2R,6S,8R)-10-benzyl-2-(hydroxymethyl)-1,4,7-trioxa-10-azaspiro[5.5]undecan-8-yl]methanol?
[(2R,6S,8R)-10-benzyl-2-(hydroxymethyl)-1,4,7-trioxa-10-azaspiro[5.5]undecan-8-yl]methanol has a molecular weight of 309.36 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S,8R)-10-benzyl-2-(hydroxymethyl)-1,4,7-trioxa-10-azaspiro[5.5]undecan-8-yl]methanol is sourced from PubChem (CID 100975653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).