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

C22H24Cl2N2O3 — CID 90279960

IUPACtert-butyl (3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](n2c3ccc(Cl)cc3c3cc(Cl)ccc32)[C@H](O)C1
InChIInChI=1S/C22H24Cl2N2O3/c1-22(2,3)29-21(28)25-9-8-19(20(27)12-25)26-17-6-4-13(23)10-15(17)16-11-14(24)5-7-18(16)26/h4-7,10-11,19-20,27H,8-9,12H2,1-3H3/t19-,20-/m1/s1
InChIKeyHDRCYVQJUYKCEZ-WOJBJXKFSA-N
MW435.35 g/mol
LogP5.64
Rot. Bonds1

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

tert-butyl (3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate (PubChem CID 90279960) has the molecular formula C22H24Cl2N2O3 and a molecular weight of 435.35 g/mol. Its IUPAC name is tert-butyl (3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate
PubChem CID90279960
Molecular FormulaC22H24Cl2N2O3
Molecular Weight435.35 g/mol
Exact Mass434.12
IUPAC Nametert-butyl (3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](n2c3ccc(Cl)cc3c3cc(Cl)ccc32)[C@H](O)C1
InChIInChI=1S/C22H24Cl2N2O3/c1-22(2,3)29-21(28)25-9-8-19(20(27)12-25)26-17-6-4-13(23)10-15(17)16-11-14(24)5-7-18(16)26/h4-7,10-11,19-20,27H,8-9,12H2,1-3H3/t19-,20-/m1/s1
InChIKeyHDRCYVQJUYKCEZ-WOJBJXKFSA-N
XLogP5.64
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.35
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-4-(3,6-dichlorocarbazol-9-yl)-3-hydroxyazepane-1-carboxylate
CID 129133337
tert-butyl (3R)-4-(3,6-dichloropyrido[2,3-b]indol-9-yl)-3-hydroxypiperidine-1-carboxylate
CID 118595162
tert-butyl (3R)-4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-hydroxypiperidine-1-carboxylate
CID 134308726
tert-butyl 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-hydroxypiperidine-1-carboxylate
CID 123386531
tert-butyl 4-(3-chloro-6-hydroxycarbazol-9-yl)-3-fluoropiperidine-1-carboxylate
CID 144664138
tert-butyl (3S)-4-(3-chloro-6-fluorocarbazol-9-yl)-3-fluoropiperidine-1-carboxylate
CID 137447201
tert-butyl (3S,4S,5S)-3-amino-5-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate
CID 135315579
tert-butyl (3R,4R)-4-(8-chloro-4-oxo-3H-pyrimido[5,4-b]indol-5-yl)-3-hydroxyazepane-1-carboxylate
CID 137203777
tert-butyl 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxypiperidine-1-carboxylate
CID 142698791
tert-butyl 3,4-dihydroxypiperidine-1-carboxylate;3-chloro-6-methyl-9H-carbazole;ethane
CID 145273604
tert-butyl (3S,4S)-4-(2-cyclopropyl-5-methylbenzimidazol-1-yl)-3-hydroxypiperidine-1-carboxylate
CID 58852266
tert-butyl (3S,4S,5S)-3-(3,6-difluorocarbazol-9-yl)-4,5-dihydroxypiperidine-1-carboxylate
CID 135315512

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate (CID 90279960) is tert-butyl (3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](n2c3ccc(Cl)cc3c3cc(Cl)ccc32)[C@H](O)C1.
What is the InChIKey of tert-butyl (3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate?
The InChIKey is HDRCYVQJUYKCEZ-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H24Cl2N2O3/c1-22(2,3)29-21(28)25-9-8-19(20(27)12-25)26-17-6-4-13(23)10-15(17)16-11-14(24)5-7-18(16)26/h4-7,10-11,19-20,27H,8-9,12H2,1-3H3/t19-,20-/m1/s1.
What are the key properties of tert-butyl (3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate?
tert-butyl (3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate has a molecular weight of 435.35 g/mol, XLogP of 5.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 90279960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).