2-phenyl-5,7-dipropyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ol

C20H32N2O+2 — CID 7438088

IUPAC2-phenyl-5,7-dipropyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ol
SMILESCCCC12C[NH+]3CC(CCC)(C[NH+](C1)C3c1ccccc1)C2O
InChIInChI=1S/C20H30N2O/c1-3-10-19-12-21-14-20(11-4-2,18(19)23)15-22(13-19)17(21)16-8-6-5-7-9-16/h5-9,17-18,23H,3-4,10-15H2,1-2H3/p+2
InChIKeyUFWIACGHZJEGNU-UHFFFAOYSA-P
MW316.49 g/mol
LogP0.43
Rot. Bonds5

About 2-phenyl-5,7-dipropyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ol

2-phenyl-5,7-dipropyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ol (PubChem CID 7438088) has the molecular formula C20H32N2O+2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 2-phenyl-5,7-dipropyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ol.

Molecular Properties

Compound Name2-phenyl-5,7-dipropyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ol
PubChem CID7438088
Molecular FormulaC20H32N2O+2
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name2-phenyl-5,7-dipropyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ol
SMILESCCCC12C[NH+]3CC(CCC)(C[NH+](C1)C3c1ccccc1)C2O
InChIInChI=1S/C20H30N2O/c1-3-10-19-12-21-14-20(11-4-2,18(19)23)15-22(13-19)17(21)16-8-6-5-7-9-16/h5-9,17-18,23H,3-4,10-15H2,1-2H3/p+2
InChIKeyUFWIACGHZJEGNU-UHFFFAOYSA-P
XLogP0.43
TPSA29.11 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,2S)-1-butyl-2-phenylcyclopropan-1-ol
CID 101173351
2-(2-methylphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
CID 6497239
butyl(phenyl)iodanium
CID 87304112
2-octyl-4-phenylcyclohexan-1-ol
CID 63461451
2-(4-nitrophenyl)-5,7-dipropyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
CID 7112397
2-(2-methylphenyl)-5,7-dipropyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
CID 3402510
2-(2-chlorophenyl)-5,7-dipropyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
CID 7718579
(2S,3S,5S,6S)-3,5-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol
CID 11877897
5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
CID 660640
(2S,3R,4R,6S)-4-butyl-1-methyl-3-pentyl-2,6-diphenylpiperidin-1-ium-4-ol
CID 7329365
(2R,3R,4R,6S)-1-methyl-3-pentyl-2,4,6-triphenylpiperidin-4-ol
CID 51411847
(2R,3R,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propylpiperidin-4-ol
CID 124823280

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5,7-dipropyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ol?
The IUPAC name of 2-phenyl-5,7-dipropyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ol (CID 7438088) is 2-phenyl-5,7-dipropyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ol.
What is the SMILES notation for 2-phenyl-5,7-dipropyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ol?
The canonical SMILES for 2-phenyl-5,7-dipropyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ol is CCCC12C[NH+]3CC(CCC)(C[NH+](C1)C3c1ccccc1)C2O.
What is the InChIKey of 2-phenyl-5,7-dipropyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ol?
The InChIKey is UFWIACGHZJEGNU-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H30N2O/c1-3-10-19-12-21-14-20(11-4-2,18(19)23)15-22(13-19)17(21)16-8-6-5-7-9-16/h5-9,17-18,23H,3-4,10-15H2,1-2H3/p+2.
What are the key properties of 2-phenyl-5,7-dipropyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ol?
2-phenyl-5,7-dipropyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ol has a molecular weight of 316.49 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5,7-dipropyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ol is sourced from PubChem (CID 7438088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).