tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate

C22H27N3O3 — CID 126673511

IUPACtert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(N)C(O)C(n2c3ccccc3c3ccccc32)C1
InChIInChI=1S/C22H27N3O3/c1-22(2,3)28-21(27)24-12-16(23)20(26)19(13-24)25-17-10-6-4-8-14(17)15-9-5-7-11-18(15)25/h4-11,16,19-20,26H,12-13,23H2,1-3H3
InChIKeyHICGNRWGSYNMTA-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.27
Rot. Bonds1

About tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate

tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate (PubChem CID 126673511) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate
PubChem CID126673511
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Nametert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(N)C(O)C(n2c3ccccc3c3ccccc32)C1
InChIInChI=1S/C22H27N3O3/c1-22(2,3)28-21(27)24-12-16(23)20(26)19(13-24)25-17-10-6-4-8-14(17)15-9-5-7-11-18(15)25/h4-11,16,19-20,26H,12-13,23H2,1-3H3
InChIKeyHICGNRWGSYNMTA-UHFFFAOYSA-N
XLogP3.27
TPSA80.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3S,4S,5S)-3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate
CID 135315584
tert-butyl (3S,4S,5S)-3-amino-5-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate
CID 135315579
3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylic acid
CID 126673582
tert-butyl (3R,4S,5S)-3-amino-4-hydroxy-5-phenoxazin-10-ylpiperidine-1-carboxylate
CID 126694122
tert-butyl (3S,4S,5S)-3-(3,6-difluorocarbazol-9-yl)-4,5-dihydroxypiperidine-1-carboxylate
CID 135315512
acetic acid;tert-butyl (3S,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylate
CID 138393610
tert-butyl 3-(3-bromoindazol-1-yl)azetidine-1-carboxylate
CID 178043117
tert-butyl (3R,4R)-3-(1,3-dihydroisoindol-2-yl)-4-hydroxypyrrolidine-1-carboxylate
CID 126846450
tert-butyl (3S)-3-amino-4-(2-fluorophenyl)pyrrolidine-1-carboxylate
CID 67135442
tert-butyl (3R,4R,5R,6S)-3,4,5,6-tetrahydroxyazepane-1-carboxylate
CID 139845782
tert-butyl 3-amino-4-pyrazol-1-ylpyrrolidine-1-carboxylate
CID 155896845
tert-butyl (3R,4S)-3-(aminomethyl)-4-phenylpyrrolidine-1-carboxylate
CID 98008226

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate (CID 126673511) is tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(N)C(O)C(n2c3ccccc3c3ccccc32)C1.
What is the InChIKey of tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate?
The InChIKey is HICGNRWGSYNMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-22(2,3)28-21(27)24-12-16(23)20(26)19(13-24)25-17-10-6-4-8-14(17)15-9-5-7-11-18(15)25/h4-11,16,19-20,26H,12-13,23H2,1-3H3.
What are the key properties of tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate?
tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate has a molecular weight of 381.48 g/mol, XLogP of 3.27, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 126673511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).