1-carbazol-9-yl-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol

C26H30N3O+ — CID 3453566

IUPAC1-carbazol-9-yl-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol
SMILESCc1ccc(N2CC[NH+](CC(O)Cn3c4ccccc4c4ccccc43)CC2)cc1
InChIInChI=1S/C26H29N3O/c1-20-10-12-21(13-11-20)28-16-14-27(15-17-28)18-22(30)19-29-25-8-4-2-6-23(25)24-7-3-5-9-26(24)29/h2-13,22,30H,14-19H2,1H3/p+1
InChIKeyBFDOXMLVGVGTAH-UHFFFAOYSA-O
MW400.55 g/mol
LogP2.87
Rot. Bonds5

About 1-carbazol-9-yl-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol

1-carbazol-9-yl-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol (PubChem CID 3453566) has the molecular formula C26H30N3O+ and a molecular weight of 400.55 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol
PubChem CID3453566
Molecular FormulaC26H30N3O+
Molecular Weight400.55 g/mol
Exact Mass400.24
IUPAC Name1-carbazol-9-yl-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol
SMILESCc1ccc(N2CC[NH+](CC(O)Cn3c4ccccc4c4ccccc43)CC2)cc1
InChIInChI=1S/C26H29N3O/c1-20-10-12-21(13-11-20)28-16-14-27(15-17-28)18-22(30)19-29-25-8-4-2-6-23(25)24-7-3-5-9-26(24)29/h2-13,22,30H,14-19H2,1H3/p+1
InChIKeyBFDOXMLVGVGTAH-UHFFFAOYSA-O
XLogP2.87
TPSA32.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

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CID 7337905
(2R)-1-carbazol-9-yl-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
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[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium
CID 910212
(2R)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol
CID 6973791
1-(3,6-dibromocarbazol-9-yl)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
CID 21234903
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
CID 35726321
(2S)-1-butoxy-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol
CID 7066315
(2R)-1-butoxy-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol
CID 7066313
1-carbazol-9-yl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 3601395
(2R)-1-[4-(4-methylphenyl)piperazin-1-ium-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 7066319
(2S)-1-(5-methyl-2,3-diphenylindol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 6958902
(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

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol (CID 3453566) is 1-carbazol-9-yl-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol is Cc1ccc(N2CC[NH+](CC(O)Cn3c4ccccc4c4ccccc43)CC2)cc1.
What is the InChIKey of 1-carbazol-9-yl-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol?
The InChIKey is BFDOXMLVGVGTAH-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H29N3O/c1-20-10-12-21(13-11-20)28-16-14-27(15-17-28)18-22(30)19-29-25-8-4-2-6-23(25)24-7-3-5-9-26(24)29/h2-13,22,30H,14-19H2,1H3/p+1.
What are the key properties of 1-carbazol-9-yl-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol?
1-carbazol-9-yl-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol has a molecular weight of 400.55 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol is sourced from PubChem (CID 3453566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).