2-[(3S)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanol

C17H24ClNO2 — CID 124950946

IUPAC2-[(3S)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanol
SMILESOCCN1CCC2(CC1)CO[C@@H](Cc1cccc(Cl)c1)C2
InChIInChI=1S/C17H24ClNO2/c18-15-3-1-2-14(10-15)11-16-12-17(13-21-16)4-6-19(7-5-17)8-9-20/h1-3,10,16,20H,4-9,11-13H2/t16-/m0/s1
InChIKeyDEVUTJUPDFSIAN-INIZCTEOSA-N
MW309.84 g/mol
LogP2.75
Rot. Bonds4

About 2-[(3S)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanol

2-[(3S)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanol (PubChem CID 124950946) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-[(3S)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanol.

Molecular Properties

Compound Name2-[(3S)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanol
PubChem CID124950946
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name2-[(3S)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanol
SMILESOCCN1CCC2(CC1)CO[C@@H](Cc1cccc(Cl)c1)C2
InChIInChI=1S/C17H24ClNO2/c18-15-3-1-2-14(10-15)11-16-12-17(13-21-16)4-6-19(7-5-17)8-9-20/h1-3,10,16,20H,4-9,11-13H2/t16-/m0/s1
InChIKeyDEVUTJUPDFSIAN-INIZCTEOSA-N
XLogP2.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3S)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanol with MolForge

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Related Compounds

1-[(3R)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone
CID 124951514
3-[(3-fluorophenyl)methyl]-8-methyl-2-oxa-8-azaspiro[4.5]decane
CID 110138342
1-[(3S)-3-[(4-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 124994566
(3R)-3-[(4-fluorophenyl)methyl]-8-(2-methoxyethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124983316
1-[(3S)-3-[(4-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(methylamino)ethanone
CID 124978631
(3R)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124965583
2-(3-chlorophenyl)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 63309755
(3S)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124965584
4-[(3-chlorophenyl)methyl]-1-propylazepan-4-ol
CID 65077956
3-[(3-chlorophenyl)methyl]oxetane
CID 129453186
[(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(oxan-4-yl)methanone
CID 124961439
cyclohexyl-[(3R)-3-(pyridin-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 125009836

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanol?
The IUPAC name of 2-[(3S)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanol (CID 124950946) is 2-[(3S)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanol.
What is the SMILES notation for 2-[(3S)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanol?
The canonical SMILES for 2-[(3S)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanol is OCCN1CCC2(CC1)CO[C@@H](Cc1cccc(Cl)c1)C2.
What is the InChIKey of 2-[(3S)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanol?
The InChIKey is DEVUTJUPDFSIAN-INIZCTEOSA-N. The full InChI is InChI=1S/C17H24ClNO2/c18-15-3-1-2-14(10-15)11-16-12-17(13-21-16)4-6-19(7-5-17)8-9-20/h1-3,10,16,20H,4-9,11-13H2/t16-/m0/s1.
What are the key properties of 2-[(3S)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanol?
2-[(3S)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanol has a molecular weight of 309.84 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanol is sourced from PubChem (CID 124950946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).