tert-butyl 4-(3,6-dichlorocarbazol-9-yl)-5-hydroxypiperidine-3-carboxylate

C22H24Cl2N2O3 — CID 90279956

IUPACtert-butyl 4-(3,6-dichlorocarbazol-9-yl)-5-hydroxypiperidine-3-carboxylate
SMILESCC(C)(C)OC(=O)C1CNCC(O)C1n1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C22H24Cl2N2O3/c1-22(2,3)29-21(28)16-10-25-11-19(27)20(16)26-17-6-4-12(23)8-14(17)15-9-13(24)5-7-18(15)26/h4-9,16,19-20,25,27H,10-11H2,1-3H3
InChIKeyOZFDAVXHCVKWPT-UHFFFAOYSA-N
MW435.35 g/mol
LogP4.56
Rot. Bonds2

About tert-butyl 4-(3,6-dichlorocarbazol-9-yl)-5-hydroxypiperidine-3-carboxylate

tert-butyl 4-(3,6-dichlorocarbazol-9-yl)-5-hydroxypiperidine-3-carboxylate (PubChem CID 90279956) has the molecular formula C22H24Cl2N2O3 and a molecular weight of 435.35 g/mol. Its IUPAC name is tert-butyl 4-(3,6-dichlorocarbazol-9-yl)-5-hydroxypiperidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3,6-dichlorocarbazol-9-yl)-5-hydroxypiperidine-3-carboxylate
PubChem CID90279956
Molecular FormulaC22H24Cl2N2O3
Molecular Weight435.35 g/mol
Exact Mass434.12
IUPAC Nametert-butyl 4-(3,6-dichlorocarbazol-9-yl)-5-hydroxypiperidine-3-carboxylate
SMILESCC(C)(C)OC(=O)C1CNCC(O)C1n1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C22H24Cl2N2O3/c1-22(2,3)29-21(28)16-10-25-11-19(27)20(16)26-17-6-4-12(23)8-14(17)15-9-13(24)5-7-18(15)26/h4-9,16,19-20,25,27H,10-11H2,1-3H3
InChIKeyOZFDAVXHCVKWPT-UHFFFAOYSA-N
XLogP4.56
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3,6-dichlorocarbazol-9-yl)-5-hydroxypiperidine-3-carboxylate?
The IUPAC name of tert-butyl 4-(3,6-dichlorocarbazol-9-yl)-5-hydroxypiperidine-3-carboxylate (CID 90279956) is tert-butyl 4-(3,6-dichlorocarbazol-9-yl)-5-hydroxypiperidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-(3,6-dichlorocarbazol-9-yl)-5-hydroxypiperidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-(3,6-dichlorocarbazol-9-yl)-5-hydroxypiperidine-3-carboxylate is CC(C)(C)OC(=O)C1CNCC(O)C1n1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of tert-butyl 4-(3,6-dichlorocarbazol-9-yl)-5-hydroxypiperidine-3-carboxylate?
The InChIKey is OZFDAVXHCVKWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O3/c1-22(2,3)29-21(28)16-10-25-11-19(27)20(16)26-17-6-4-12(23)8-14(17)15-9-13(24)5-7-18(15)26/h4-9,16,19-20,25,27H,10-11H2,1-3H3.
What are the key properties of tert-butyl 4-(3,6-dichlorocarbazol-9-yl)-5-hydroxypiperidine-3-carboxylate?
tert-butyl 4-(3,6-dichlorocarbazol-9-yl)-5-hydroxypiperidine-3-carboxylate has a molecular weight of 435.35 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3,6-dichlorocarbazol-9-yl)-5-hydroxypiperidine-3-carboxylate is sourced from PubChem (CID 90279956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).