7-methyl-3-(2-phenylethyl)-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol

C21H32N2O — CID 24833923

IUPAC7-methyl-3-(2-phenylethyl)-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol
SMILESCC1CC2CN(CCc3ccccc3)CC(C2O)C1N1CCCC1
InChIInChI=1S/C21H32N2O/c1-16-13-18-14-22(12-9-17-7-3-2-4-8-17)15-19(21(18)24)20(16)23-10-5-6-11-23/h2-4,7-8,16,18-21,24H,5-6,9-15H2,1H3
InChIKeyUTDLAXMOIIDGTC-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.64
Rot. Bonds4

About 7-methyl-3-(2-phenylethyl)-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol

7-methyl-3-(2-phenylethyl)-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol (PubChem CID 24833923) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 7-methyl-3-(2-phenylethyl)-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name7-methyl-3-(2-phenylethyl)-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol
PubChem CID24833923
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name7-methyl-3-(2-phenylethyl)-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol
SMILESCC1CC2CN(CCc3ccccc3)CC(C2O)C1N1CCCC1
InChIInChI=1S/C21H32N2O/c1-16-13-18-14-22(12-9-17-7-3-2-4-8-17)15-19(21(18)24)20(16)23-10-5-6-11-23/h2-4,7-8,16,18-21,24H,5-6,9-15H2,1H3
InChIKeyUTDLAXMOIIDGTC-UHFFFAOYSA-N
XLogP2.64
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-methyl-3-(2-phenylethyl)-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4R)-1-(2-phenylethyl)-4-piperidin-1-ylpyrrolidin-3-ol
CID 133118132
(3aS,6aR)-2-methyl-5-(2-phenylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 118534999
carbanide;ethane;2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;tungsten;yttrium
CID 159349372
2-(2-phenylethyl)-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 13162074
1-methylsulfonyl-4-(2-phenylethyl)-1,4-diazepane-6-carboxamide
CID 155902002
(3aR,7R,7aS)-7-methyl-2-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one
CID 133140047
5-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60971520
1-[4-[(3S,4R)-4-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]piperazin-1-yl]ethanone
CID 129462097
(3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine
CID 7047234
(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-ol
CID 7047301
(3aR,6aS)-5-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;propane
CID 144963091
(1S,3R)-7-(2-phenylethyl)-7-azaspiro[3.5]nonane-1,3-diol
CID 72916080

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2-phenylethyl)-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of 7-methyl-3-(2-phenylethyl)-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol (CID 24833923) is 7-methyl-3-(2-phenylethyl)-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for 7-methyl-3-(2-phenylethyl)-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for 7-methyl-3-(2-phenylethyl)-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol is CC1CC2CN(CCc3ccccc3)CC(C2O)C1N1CCCC1.
What is the InChIKey of 7-methyl-3-(2-phenylethyl)-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol?
The InChIKey is UTDLAXMOIIDGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-16-13-18-14-22(12-9-17-7-3-2-4-8-17)15-19(21(18)24)20(16)23-10-5-6-11-23/h2-4,7-8,16,18-21,24H,5-6,9-15H2,1H3.
What are the key properties of 7-methyl-3-(2-phenylethyl)-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol?
7-methyl-3-(2-phenylethyl)-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol has a molecular weight of 328.50 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2-phenylethyl)-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 24833923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).