3-(12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)propan-1-ol

C13H17NO2 — CID 14208749

IUPAC3-(12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)propan-1-ol
SMILESOCCCN1CC2OC(C1)c1ccccc12
InChIInChI=1S/C13H17NO2/c15-7-3-6-14-8-12-10-4-1-2-5-11(10)13(9-14)16-12/h1-2,4-5,12-13,15H,3,6-9H2
InChIKeyFTXIKXWOKJNHFS-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.50
Rot. Bonds3

About 3-(12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)propan-1-ol

3-(12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)propan-1-ol (PubChem CID 14208749) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-(12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)propan-1-ol.

Molecular Properties

Compound Name3-(12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)propan-1-ol
PubChem CID14208749
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-(12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)propan-1-ol
SMILESOCCCN1CC2OC(C1)c1ccccc12
InChIInChI=1S/C13H17NO2/c15-7-3-6-14-8-12-10-4-1-2-5-11(10)13(9-14)16-12/h1-2,4-5,12-13,15H,3,6-9H2
InChIKeyFTXIKXWOKJNHFS-UHFFFAOYSA-N
XLogP1.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)propan-1-ol with MolForge

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Related Compounds

3-[2-(2-methylphenyl)morpholin-4-yl]propan-1-ol
CID 111462348
3-[2-(2-chlorophenyl)morpholin-4-yl]propan-1-ol
CID 110936045
4-(3-phenylazetidin-1-yl)butan-1-ol
CID 106844153
3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]propan-1-ol
CID 11522885
7-(1,3-dihydroisoindol-2-yl)heptan-1-ol
CID 165175514
2-[2-[2-(2-chlorophenyl)morpholin-4-yl]ethoxy]ethanol
CID 111432795
6-[4-(2-chlorophenyl)piperidin-1-yl]hexan-1-ol
CID 97355587
3-[(3aR,4S,6aS)-5-(benzenesulfonyl)-4-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-ol
CID 171385955
3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol
CID 95175790
6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol
CID 103738015
4-(3-methyl-2,3-dihydroindol-1-yl)butan-1-ol
CID 110931658
5-[4-(2-chlorophenyl)piperidin-1-yl]pentan-1-ol;hydrochloride
CID 117067038

Frequently Asked Questions

What is the IUPAC name of 3-(12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)propan-1-ol?
The IUPAC name of 3-(12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)propan-1-ol (CID 14208749) is 3-(12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)propan-1-ol.
What is the SMILES notation for 3-(12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)propan-1-ol?
The canonical SMILES for 3-(12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)propan-1-ol is OCCCN1CC2OC(C1)c1ccccc12.
What is the InChIKey of 3-(12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)propan-1-ol?
The InChIKey is FTXIKXWOKJNHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-7-3-6-14-8-12-10-4-1-2-5-11(10)13(9-14)16-12/h1-2,4-5,12-13,15H,3,6-9H2.
What are the key properties of 3-(12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)propan-1-ol?
3-(12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)propan-1-ol has a molecular weight of 219.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)propan-1-ol is sourced from PubChem (CID 14208749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).