tert-butyl 4-carbazol-9-ylpiperidine-1-carboxylate

C22H26N2O2 — CID 73413064

IUPACtert-butyl 4-carbazol-9-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2c3ccccc3c3ccccc32)CC1
InChIInChI=1S/C22H26N2O2/c1-22(2,3)26-21(25)23-14-12-16(13-15-23)24-19-10-6-4-8-17(19)18-9-5-7-11-20(18)24/h4-11,16H,12-15H2,1-3H3
InChIKeyQLCDCRRDTDFFLX-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.37
Rot. Bonds1

About tert-butyl 4-carbazol-9-ylpiperidine-1-carboxylate

tert-butyl 4-carbazol-9-ylpiperidine-1-carboxylate (PubChem CID 73413064) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is tert-butyl 4-carbazol-9-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-carbazol-9-ylpiperidine-1-carboxylate
PubChem CID73413064
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Nametert-butyl 4-carbazol-9-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2c3ccccc3c3ccccc32)CC1
InChIInChI=1S/C22H26N2O2/c1-22(2,3)26-21(25)23-14-12-16(13-15-23)24-19-10-6-4-8-17(19)18-9-5-7-11-20(18)24/h4-11,16H,12-15H2,1-3H3
InChIKeyQLCDCRRDTDFFLX-UHFFFAOYSA-N
XLogP5.37
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Rimcazole
CID 53389
OC-000459
CID 11462174
Mebhydrolin
CID 22530
Avn-101
CID 42631003
N-ethyl carbazole
CID 6836
Rimcazole dihydrochloride
CID 53388
9H-Carbazole-9-ethanol, alpha-(1-piperidinylmethyl)-
CID 56210
3-Acetamido-9-ethylcarbazole
CID 249414
9-Acetyl-9H-carbazole
CID 95837
9H-Carbazole, 9-(1-methylethyl)-
CID 73873
ethyl 8-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carboxylate
CID 2937007
1-(9H-Carbazol-9-yl)-3-(morpholin-4-yl)propan-2-ol
CID 56212

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-carbazol-9-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-carbazol-9-ylpiperidine-1-carboxylate (CID 73413064) is tert-butyl 4-carbazol-9-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-carbazol-9-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-carbazol-9-ylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2c3ccccc3c3ccccc32)CC1.
What is the InChIKey of tert-butyl 4-carbazol-9-ylpiperidine-1-carboxylate?
The InChIKey is QLCDCRRDTDFFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-22(2,3)26-21(25)23-14-12-16(13-15-23)24-19-10-6-4-8-17(19)18-9-5-7-11-20(18)24/h4-11,16H,12-15H2,1-3H3.
What are the key properties of tert-butyl 4-carbazol-9-ylpiperidine-1-carboxylate?
tert-butyl 4-carbazol-9-ylpiperidine-1-carboxylate has a molecular weight of 350.46 g/mol, XLogP of 5.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-carbazol-9-ylpiperidine-1-carboxylate is sourced from PubChem (CID 73413064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).