tert-butyl 4-(3,6-dichlorocarbazol-9-yl)-3-fluoropiperidine-1-carboxylate

C22H23Cl2FN2O2 — CID 90281136

IUPACtert-butyl 4-(3,6-dichlorocarbazol-9-yl)-3-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2c3ccc(Cl)cc3c3cc(Cl)ccc32)C(F)C1
InChIInChI=1S/C22H23Cl2FN2O2/c1-22(2,3)29-21(28)26-9-8-20(17(25)12-26)27-18-6-4-13(23)10-15(18)16-11-14(24)5-7-19(16)27/h4-7,10-11,17,20H,8-9,12H2,1-3H3
InChIKeyNOIZELIAALFAMH-UHFFFAOYSA-N
MW437.34 g/mol
LogP6.62
Rot. Bonds1

About tert-butyl 4-(3,6-dichlorocarbazol-9-yl)-3-fluoropiperidine-1-carboxylate

tert-butyl 4-(3,6-dichlorocarbazol-9-yl)-3-fluoropiperidine-1-carboxylate (PubChem CID 90281136) has the molecular formula C22H23Cl2FN2O2 and a molecular weight of 437.34 g/mol. Its IUPAC name is tert-butyl 4-(3,6-dichlorocarbazol-9-yl)-3-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3,6-dichlorocarbazol-9-yl)-3-fluoropiperidine-1-carboxylate
PubChem CID90281136
Molecular FormulaC22H23Cl2FN2O2
Molecular Weight437.34 g/mol
Exact Mass436.11
IUPAC Nametert-butyl 4-(3,6-dichlorocarbazol-9-yl)-3-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2c3ccc(Cl)cc3c3cc(Cl)ccc32)C(F)C1
InChIInChI=1S/C22H23Cl2FN2O2/c1-22(2,3)29-21(28)26-9-8-20(17(25)12-26)27-18-6-4-13(23)10-15(18)16-11-14(24)5-7-19(16)27/h4-7,10-11,17,20H,8-9,12H2,1-3H3
InChIKeyNOIZELIAALFAMH-UHFFFAOYSA-N
XLogP6.62
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.34
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Benzyl-4-fluoro-piperidin-1-yl)-3-[5-chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-propan-1-one
CID 44334127
N-(1-{3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-propionyl}-piperidin-4-yl)-N-phenyl-propionamide
CID 44333730
3,6-dichloro-9-(4-morpholinylmethyl)-9H-carbazole
CID 757828
1-(3,6-Dichlorocarbazol-9-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol
CID 2836155
1-(4-benzylpiperazin-1-yl)-3-(3,6-dichloro-9H-carbazol-9-yl)propan-2-ol
CID 2852080
1-(3,6-Dichloro-carbazol-9-yl)-3-[4-(3-phenyl-allyl)-piperazin-1-yl]-propan-2-ol
CID 5719459
2-[3-(1-Benzyl-6-oxo-3-pyridinyl)-5-chloro-2-methylindol-1-yl]acetic acid
CID 57505267
2-[5-Chloro-3-[1-[(2,6-difluorophenyl)methyl]-6-oxo-3-pyridinyl]-2-methylindol-1-yl]acetic acid
CID 57505291
1-[4-(Cyclohexylmethyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-one
CID 66741877
4-(1-benzyl-5-chloro-2-methyl-1H-indol-3-yl)-1-morpholinobutan-1-one
CID 25031764
3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-1-(4-isopropyl-piperazin-1-yl)-propan-1-one
CID 44333821
1-(4-Benzyl-piperidin-1-yl)-3-[5-chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-propan-1-one
CID 44334108

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3,6-dichlorocarbazol-9-yl)-3-fluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3,6-dichlorocarbazol-9-yl)-3-fluoropiperidine-1-carboxylate (CID 90281136) is tert-butyl 4-(3,6-dichlorocarbazol-9-yl)-3-fluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3,6-dichlorocarbazol-9-yl)-3-fluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3,6-dichlorocarbazol-9-yl)-3-fluoropiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2c3ccc(Cl)cc3c3cc(Cl)ccc32)C(F)C1.
What is the InChIKey of tert-butyl 4-(3,6-dichlorocarbazol-9-yl)-3-fluoropiperidine-1-carboxylate?
The InChIKey is NOIZELIAALFAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2FN2O2/c1-22(2,3)29-21(28)26-9-8-20(17(25)12-26)27-18-6-4-13(23)10-15(18)16-11-14(24)5-7-19(16)27/h4-7,10-11,17,20H,8-9,12H2,1-3H3.
What are the key properties of tert-butyl 4-(3,6-dichlorocarbazol-9-yl)-3-fluoropiperidine-1-carboxylate?
tert-butyl 4-(3,6-dichlorocarbazol-9-yl)-3-fluoropiperidine-1-carboxylate has a molecular weight of 437.34 g/mol, XLogP of 6.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3,6-dichlorocarbazol-9-yl)-3-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 90281136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).