tert-butyl 4-[2-hydroxy-3-(3-phenylcarbazol-9-yl)propyl]piperazine-1-carboxylate

C30H35N3O3 — CID 66741357

IUPACtert-butyl 4-[2-hydroxy-3-(3-phenylcarbazol-9-yl)propyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(O)Cn2c3ccccc3c3cc(-c4ccccc4)ccc32)CC1
InChIInChI=1S/C30H35N3O3/c1-30(2,3)36-29(35)32-17-15-31(16-18-32)20-24(34)21-33-27-12-8-7-11-25(27)26-19-23(13-14-28(26)33)22-9-5-4-6-10-22/h4-14,19,24,34H,15-18,20-21H2,1-3H3
InChIKeyRBJYBNDLUSCADQ-UHFFFAOYSA-N
MW485.63 g/mol
LogP5.38
Rot. Bonds5

About tert-butyl 4-[2-hydroxy-3-(3-phenylcarbazol-9-yl)propyl]piperazine-1-carboxylate

tert-butyl 4-[2-hydroxy-3-(3-phenylcarbazol-9-yl)propyl]piperazine-1-carboxylate (PubChem CID 66741357) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is tert-butyl 4-[2-hydroxy-3-(3-phenylcarbazol-9-yl)propyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-hydroxy-3-(3-phenylcarbazol-9-yl)propyl]piperazine-1-carboxylate
PubChem CID66741357
Molecular FormulaC30H35N3O3
Molecular Weight485.63 g/mol
Exact Mass485.27
IUPAC Nametert-butyl 4-[2-hydroxy-3-(3-phenylcarbazol-9-yl)propyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(O)Cn2c3ccccc3c3cc(-c4ccccc4)ccc32)CC1
InChIInChI=1S/C30H35N3O3/c1-30(2,3)36-29(35)32-17-15-31(16-18-32)20-24(34)21-33-27-12-8-7-11-25(27)26-19-23(13-14-28(26)33)22-9-5-4-6-10-22/h4-14,19,24,34H,15-18,20-21H2,1-3H3
InChIKeyRBJYBNDLUSCADQ-UHFFFAOYSA-N
XLogP5.38
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S)-3-(3-bromocarbazol-9-yl)-2-hydroxypropyl]piperazine-1-carboxylic acid
CID 69284445
tert-butyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate
CID 102417588
1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
CID 3098890
tert-butyl 4-[(2S)-2-hydroxybutyl]piperazine-1-carboxylate
CID 124576249
tert-butyl 4-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]piperazine-1-carboxylate
CID 57185615
tert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate
CID 95635851
1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol
CID 2841332
tert-butyl 4-[(2R)-3-chloro-2-hydroxypropyl]piperazine-1-carboxylate
CID 66954028
tert-butyl 4-[2-hydroxy-3-(1-hydroxy-3-oxo-1H-isoindol-2-yl)propyl]piperazine-1-carboxylate
CID 154977254
1-carbazol-9-yl-3-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]propan-2-ol;oxalic acid
CID 2905393
(2R)-1-carbazol-9-yl-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 7111367
tert-butyl 4-[(2S,4R)-4-benzyl-2-hydroxy-5-(2-hydroxypropan-2-ylamino)-5-oxopentyl]piperazine-1-carboxylate
CID 142065820

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-hydroxy-3-(3-phenylcarbazol-9-yl)propyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-hydroxy-3-(3-phenylcarbazol-9-yl)propyl]piperazine-1-carboxylate (CID 66741357) is tert-butyl 4-[2-hydroxy-3-(3-phenylcarbazol-9-yl)propyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-hydroxy-3-(3-phenylcarbazol-9-yl)propyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-hydroxy-3-(3-phenylcarbazol-9-yl)propyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CC(O)Cn2c3ccccc3c3cc(-c4ccccc4)ccc32)CC1.
What is the InChIKey of tert-butyl 4-[2-hydroxy-3-(3-phenylcarbazol-9-yl)propyl]piperazine-1-carboxylate?
The InChIKey is RBJYBNDLUSCADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3/c1-30(2,3)36-29(35)32-17-15-31(16-18-32)20-24(34)21-33-27-12-8-7-11-25(27)26-19-23(13-14-28(26)33)22-9-5-4-6-10-22/h4-14,19,24,34H,15-18,20-21H2,1-3H3.
What are the key properties of tert-butyl 4-[2-hydroxy-3-(3-phenylcarbazol-9-yl)propyl]piperazine-1-carboxylate?
tert-butyl 4-[2-hydroxy-3-(3-phenylcarbazol-9-yl)propyl]piperazine-1-carboxylate has a molecular weight of 485.63 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-hydroxy-3-(3-phenylcarbazol-9-yl)propyl]piperazine-1-carboxylate is sourced from PubChem (CID 66741357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).