tert-butyl 4-(2-hydroxyethyl)-4-indazol-1-ylpiperidine-1-carboxylate

C19H27N3O3 — CID 178043076

IUPACtert-butyl 4-(2-hydroxyethyl)-4-indazol-1-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCO)(n2ncc3ccccc32)CC1
InChIInChI=1S/C19H27N3O3/c1-18(2,3)25-17(24)21-11-8-19(9-12-21,10-13-23)22-16-7-5-4-6-15(16)14-20-22/h4-7,14,23H,8-13H2,1-3H3
InChIKeyQHDPOIQGDYKUEF-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.14
Rot. Bonds3

About tert-butyl 4-(2-hydroxyethyl)-4-indazol-1-ylpiperidine-1-carboxylate

tert-butyl 4-(2-hydroxyethyl)-4-indazol-1-ylpiperidine-1-carboxylate (PubChem CID 178043076) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is tert-butyl 4-(2-hydroxyethyl)-4-indazol-1-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-hydroxyethyl)-4-indazol-1-ylpiperidine-1-carboxylate
PubChem CID178043076
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Nametert-butyl 4-(2-hydroxyethyl)-4-indazol-1-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCO)(n2ncc3ccccc32)CC1
InChIInChI=1S/C19H27N3O3/c1-18(2,3)25-17(24)21-11-8-19(9-12-21,10-13-23)22-16-7-5-4-6-15(16)14-20-22/h4-7,14,23H,8-13H2,1-3H3
InChIKeyQHDPOIQGDYKUEF-UHFFFAOYSA-N
XLogP3.14
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-indazol-1-yl-4-(2-oxoethyl)piperidine-1-carboxylate
CID 178043266
tert-butyl 4-(3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl)-4-(2-hydroxyethyl)piperidine-1-carboxylate
CID 130351912
tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpyrazolo[4,3-c]pyridin-1-yl]-4-(2-hydroxyethyl)piperidine-1-carboxylate
CID 130351920
tert-butyl 4-(hydroxymethyl)-4-phenylsulfanylpiperidine-1-carboxylate
CID 20664727
tert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate
CID 135323439
tert-butyl 4-benzyl-4-(hydroxymethyl)piperidine-1-carboxylate
CID 20664723
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpiperidine-4-carboxylic acid
CID 54382242
tert-butyl 4-formyl-4-[3-(2-oxoquinoxalin-1-yl)propyl]piperidine-1-carboxylate
CID 89292314
tert-butyl 4-iodo-4-phenoxypiperidine-1-carboxylate
CID 121429990
tert-butyl 4-(1-methylindazol-6-yl)piperazine-1-carboxylate;ethane
CID 142622902
tert-butyl 4-[(4-indazol-1-ylbenzoyl)amino]piperidine-1-carboxylate
CID 59850228
tert-butyl 4-(2-hydroxyethyl)-4-isocyanopiperidine-1-carboxylate
CID 88867098

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-hydroxyethyl)-4-indazol-1-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-hydroxyethyl)-4-indazol-1-ylpiperidine-1-carboxylate (CID 178043076) is tert-butyl 4-(2-hydroxyethyl)-4-indazol-1-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-hydroxyethyl)-4-indazol-1-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-hydroxyethyl)-4-indazol-1-ylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCO)(n2ncc3ccccc32)CC1.
What is the InChIKey of tert-butyl 4-(2-hydroxyethyl)-4-indazol-1-ylpiperidine-1-carboxylate?
The InChIKey is QHDPOIQGDYKUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-18(2,3)25-17(24)21-11-8-19(9-12-21,10-13-23)22-16-7-5-4-6-15(16)14-20-22/h4-7,14,23H,8-13H2,1-3H3.
What are the key properties of tert-butyl 4-(2-hydroxyethyl)-4-indazol-1-ylpiperidine-1-carboxylate?
tert-butyl 4-(2-hydroxyethyl)-4-indazol-1-ylpiperidine-1-carboxylate has a molecular weight of 345.44 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-hydroxyethyl)-4-indazol-1-ylpiperidine-1-carboxylate is sourced from PubChem (CID 178043076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).