(2R)-1-carbazol-9-yl-3-[(1R,5S)-1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl]propan-2-ol

C25H33N2O+ — CID 6958125

IUPAC(2R)-1-carbazol-9-yl-3-[(1R,5S)-1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl]propan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(C)C[NH+](C[C@H](O)Cn1c3ccccc3c3ccccc31)C2
InChIInChI=1S/C25H32N2O/c1-24(2)18-12-13-25(24,3)17-26(14-18)15-19(28)16-27-22-10-6-4-8-20(22)21-9-5-7-11-23(21)27/h4-11,18-19,28H,12-17H2,1-3H3/p+1/t18-,19+,25+/m1/s1
InChIKeyDNUFRGCCNUMJNP-WYEJZRMESA-O
MW377.55 g/mol
LogP3.50
Rot. Bonds4

About (2R)-1-carbazol-9-yl-3-[(1R,5S)-1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl]propan-2-ol

(2R)-1-carbazol-9-yl-3-[(1R,5S)-1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl]propan-2-ol (PubChem CID 6958125) has the molecular formula C25H33N2O+ and a molecular weight of 377.55 g/mol. Its IUPAC name is (2R)-1-carbazol-9-yl-3-[(1R,5S)-1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-carbazol-9-yl-3-[(1R,5S)-1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl]propan-2-ol
PubChem CID6958125
Molecular FormulaC25H33N2O+
Molecular Weight377.55 g/mol
Exact Mass377.26
IUPAC Name(2R)-1-carbazol-9-yl-3-[(1R,5S)-1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl]propan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(C)C[NH+](C[C@H](O)Cn1c3ccccc3c3ccccc31)C2
InChIInChI=1S/C25H32N2O/c1-24(2)18-12-13-25(24,3)17-26(14-18)15-19(28)16-27-22-10-6-4-8-20(22)21-9-5-7-11-23(21)27/h4-11,18-19,28H,12-17H2,1-3H3/p+1/t18-,19+,25+/m1/s1
InChIKeyDNUFRGCCNUMJNP-WYEJZRMESA-O
XLogP3.50
TPSA29.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.55
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-1-carbazol-9-yl-3-[(1R,5S)-1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl]propan-2-ol with MolForge

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Related Compounds

9H-Carbazole-9-ethanol, alpha-(1-piperidinylmethyl)-
CID 56210
1-(9H-Carbazol-9-yl)-3-(morpholin-4-yl)propan-2-ol
CID 56212
1-(9H-carbazol-9-yl)-3-(naphthalen-1-ylamino)propan-2-ol
CID 2836198
1-(Cyclohexylamino)-3-(6-methyl-3,4-dihydro-1H-carbazol-9(2H)-YL)propan-2-OL
CID 961704
1-[4-(3-Carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]ethanone
CID 2899994
1-(2,3-dimethyl-1H-indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 4229169
alpha-((Dipropylamino)methyl)-9H-carbazole-9-ethanol
CID 2802130
Cambridge id 5723280
CID 2864698
1-(9H-carbazol-9-yl)-3-(cyclopentylamino)propan-2-ol
CID 2942140
1-Carbazol-9-yl-3-[(3-methylbutyl)amino]propan-2-ol, chloride
CID 16247239
4-(3-Carbazol-9-yl-2-hydroxypropyl)piperazine-1-carbaldehyde
CID 2903990
1-Morpholin-4-yl-3-(1,2,3,4-tetrahydro-carbazol-9-yl)-propan-2-ol
CID 14415827

Frequently Asked Questions

What is the IUPAC name of (2R)-1-carbazol-9-yl-3-[(1R,5S)-1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl]propan-2-ol?
The IUPAC name of (2R)-1-carbazol-9-yl-3-[(1R,5S)-1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl]propan-2-ol (CID 6958125) is (2R)-1-carbazol-9-yl-3-[(1R,5S)-1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-carbazol-9-yl-3-[(1R,5S)-1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl]propan-2-ol?
The canonical SMILES for (2R)-1-carbazol-9-yl-3-[(1R,5S)-1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl]propan-2-ol is CC1(C)[C@@H]2CC[C@@]1(C)C[NH+](C[C@H](O)Cn1c3ccccc3c3ccccc31)C2.
What is the InChIKey of (2R)-1-carbazol-9-yl-3-[(1R,5S)-1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl]propan-2-ol?
The InChIKey is DNUFRGCCNUMJNP-WYEJZRMESA-O. The full InChI is InChI=1S/C25H32N2O/c1-24(2)18-12-13-25(24,3)17-26(14-18)15-19(28)16-27-22-10-6-4-8-20(22)21-9-5-7-11-23(21)27/h4-11,18-19,28H,12-17H2,1-3H3/p+1/t18-,19+,25+/m1/s1.
What are the key properties of (2R)-1-carbazol-9-yl-3-[(1R,5S)-1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl]propan-2-ol?
(2R)-1-carbazol-9-yl-3-[(1R,5S)-1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl]propan-2-ol has a molecular weight of 377.55 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-carbazol-9-yl-3-[(1R,5S)-1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl]propan-2-ol is sourced from PubChem (CID 6958125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).