tert-butyl 3,4-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole

C22H26Cl2N2O4 — CID 145255559

IUPACtert-butyl 3,4-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole
SMILESCC(C)(C)OC(=O)N1CCC(O)C(O)C1.Clc1ccc2[nH]c3ccc(Cl)cc3c2c1
InChIInChI=1S/C12H7Cl2N.C10H19NO4/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11;1-10(2,3)15-9(14)11-5-4-7(12)8(13)6-11/h1-6,15H;7-8,12-13H,4-6H2,1-3H3
InChIKeySCCWGDXKPRXTHL-UHFFFAOYSA-N
MW453.37 g/mol
LogP4.98
Rot. Bonds

About tert-butyl 3,4-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole

tert-butyl 3,4-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole (PubChem CID 145255559) has the molecular formula C22H26Cl2N2O4 and a molecular weight of 453.37 g/mol. Its IUPAC name is tert-butyl 3,4-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole.

Molecular Properties

Compound Nametert-butyl 3,4-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole
PubChem CID145255559
Molecular FormulaC22H26Cl2N2O4
Molecular Weight453.37 g/mol
Exact Mass452.13
IUPAC Nametert-butyl 3,4-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole
SMILESCC(C)(C)OC(=O)N1CCC(O)C(O)C1.Clc1ccc2[nH]c3ccc(Cl)cc3c2c1
InChIInChI=1S/C12H7Cl2N.C10H19NO4/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11;1-10(2,3)15-9(14)11-5-4-7(12)8(13)6-11/h1-6,15H;7-8,12-13H,4-6H2,1-3H3
InChIKeySCCWGDXKPRXTHL-UHFFFAOYSA-N
XLogP4.98
TPSA85.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.37
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,6-dichloro-9H-carbazol-9-yl)-3-((2-methoxyethyl)amino)propan-2-ol
CID 2920941
2-((3-(3,6-dichloro-9H-carbazol-9-yl)-2-hydroxypropyl)amino)-2-(hydroxymethyl)propane-1,3-diol
CID 16451152
1-(Butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 141473184
2-((3-(3,6-dichloro-9H-carbazol-9-yl)-2-hydroxypropyl)amino)butan-1-ol
CID 5171718
1-(3-(3,6-dichloro-9H-carbazol-9-yl)-2-hydroxypropyl)-4,6-dimethylpyrimidin-2(1H)-one
CID 2854847
1-(3,6-Dichlorocarbazol-9-yl)-3-(pentylamino)propan-2-ol
CID 72714464
2-{4-[(5-chloro-3-methyl-1H-indol-2-yl)methyl]-1-isobutylpiperazin-2-yl}ethanol
CID 23723580
1-(3,6-Dichlorocarbazol-9-yl)-3-piperazinylpropan-2-ol
CID 2729029
Ethyl 6-chloro-1-(4-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 11234128
Ethyl 6-chloro-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 11486060
2-[[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 40549719
2-[[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 40549721

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,4-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole?
The IUPAC name of tert-butyl 3,4-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole (CID 145255559) is tert-butyl 3,4-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole.
What is the SMILES notation for tert-butyl 3,4-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole?
The canonical SMILES for tert-butyl 3,4-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole is CC(C)(C)OC(=O)N1CCC(O)C(O)C1.Clc1ccc2[nH]c3ccc(Cl)cc3c2c1.
What is the InChIKey of tert-butyl 3,4-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole?
The InChIKey is SCCWGDXKPRXTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N.C10H19NO4/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11;1-10(2,3)15-9(14)11-5-4-7(12)8(13)6-11/h1-6,15H;7-8,12-13H,4-6H2,1-3H3.
What are the key properties of tert-butyl 3,4-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole?
tert-butyl 3,4-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole has a molecular weight of 453.37 g/mol, XLogP of 4.98, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,4-dihydroxypiperidine-1-carboxylate;3,6-dichloro-9H-carbazole is sourced from PubChem (CID 145255559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).