9-methyl-7-(3-phenylpropyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol

C17H25NO2 — CID 57036225

IUPAC9-methyl-7-(3-phenylpropyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol
SMILESCC1(O)C2COCC1CN(CCCc1ccccc1)C2
InChIInChI=1S/C17H25NO2/c1-17(19)15-10-18(11-16(17)13-20-12-15)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,15-16,19H,5,8-13H2,1H3
InChIKeyQRLSGNUSQIDWQO-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.95
Rot. Bonds4

About 9-methyl-7-(3-phenylpropyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol

9-methyl-7-(3-phenylpropyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol (PubChem CID 57036225) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 9-methyl-7-(3-phenylpropyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name9-methyl-7-(3-phenylpropyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol
PubChem CID57036225
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name9-methyl-7-(3-phenylpropyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol
SMILESCC1(O)C2COCC1CN(CCCc1ccccc1)C2
InChIInChI=1S/C17H25NO2/c1-17(19)15-10-18(11-16(17)13-20-12-15)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,15-16,19H,5,8-13H2,1H3
InChIKeyQRLSGNUSQIDWQO-UHFFFAOYSA-N
XLogP1.95
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-methyl-7-(3-phenylpropyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol with MolForge

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Related Compounds

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CID 114334514
(3R,4R)-4-(dimethylamino)-1-(3-phenylpropyl)pyrrolidin-3-ol
CID 133113656
(3R,5S)-1-(3-phenylpropyl)piperidine-3,5-diamine
CID 118550630
2-[(2S)-1-(3-methylbutyl)-4-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 29208638
1-[(1R,5S)-3-(3-phenylpropyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone
CID 133134564
(3aR,6aS)-3a-(methoxymethyl)-5-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 124797045
2-[4-[(5-methylfuran-2-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45193506
N-[[(3aR,6aS)-5-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
CID 124784233
[4-methyl-1-(3-phenylpropyl)piperidin-4-yl]methanamine
CID 107160658
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640
3-methyl-5-[1-(3-phenylpropyl)azetidin-3-yl]-1,2,4-oxadiazole;oxalic acid
CID 71783880
5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine
CID 64849218

Frequently Asked Questions

What is the IUPAC name of 9-methyl-7-(3-phenylpropyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of 9-methyl-7-(3-phenylpropyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol (CID 57036225) is 9-methyl-7-(3-phenylpropyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for 9-methyl-7-(3-phenylpropyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for 9-methyl-7-(3-phenylpropyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol is CC1(O)C2COCC1CN(CCCc1ccccc1)C2.
What is the InChIKey of 9-methyl-7-(3-phenylpropyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol?
The InChIKey is QRLSGNUSQIDWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(19)15-10-18(11-16(17)13-20-12-15)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,15-16,19H,5,8-13H2,1H3.
What are the key properties of 9-methyl-7-(3-phenylpropyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol?
9-methyl-7-(3-phenylpropyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol has a molecular weight of 275.39 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-7-(3-phenylpropyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 57036225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).