tert-butyl 3-hydroxy-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate

C18H25N3O3 — CID 135274231

IUPACtert-butyl 3-hydroxy-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate
SMILESCc1cc2cn[nH]c2cc1C1CCN(C(=O)OC(C)(C)C)CC1O
InChIInChI=1S/C18H25N3O3/c1-11-7-12-9-19-20-15(12)8-14(11)13-5-6-21(10-16(13)22)17(23)24-18(2,3)4/h7-9,13,16,22H,5-6,10H2,1-4H3,(H,19,20)
InChIKeyBYMVKTUBROQIGK-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.96
Rot. Bonds1

About tert-butyl 3-hydroxy-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate

tert-butyl 3-hydroxy-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate (PubChem CID 135274231) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate
PubChem CID135274231
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Nametert-butyl 3-hydroxy-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate
SMILESCc1cc2cn[nH]c2cc1C1CCN(C(=O)OC(C)(C)C)CC1O
InChIInChI=1S/C18H25N3O3/c1-11-7-12-9-19-20-15(12)8-14(11)13-5-6-21(10-16(13)22)17(23)24-18(2,3)4/h7-9,13,16,22H,5-6,10H2,1-4H3,(H,19,20)
InChIKeyBYMVKTUBROQIGK-UHFFFAOYSA-N
XLogP2.96
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S,4R)-3-hydroxy-4-(2-methylphenyl)piperidine-1-carboxylate
CID 95566698
tert-butyl (3R,4S)-4-(2,6-dimethylphenyl)-3-hydroxypiperidine-1-carboxylate
CID 95566624
tert-butyl 4-(1H-pyrazolo[4,3-c]pyridin-6-yl)piperidine-1-carboxylate
CID 168797532
tert-butyl (3S,4S)-4-(3,5-dimethylphenyl)-3-hydroxypiperidine-1-carboxylate
CID 95566713
tert-butyl (3S,4R)-3-hydroxy-4-[5-methyl-1-[2-methyl-6-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]indazol-6-yl]piperidine-1-carboxylate
CID 153284226
tert-butyl (3R,4R)-4-(6-fluoro-1H-indol-3-yl)-3-hydroxypiperidine-1-carboxylate
CID 10544697
tert-butyl 4-(3,5-difluorophenyl)-3-hydroxypiperidine-1-carboxylate
CID 54596029
tert-butyl 4-(furan-3-yl)-3-hydroxypiperidine-1-carboxylate
CID 59674744
tert-butyl 3-hydroxy-4-(2-methylsulfanylpyrimidin-5-yl)piperidine-1-carboxylate
CID 90761230
tert-butyl 4-(3,4-difluorophenyl)-3-hydroxypiperidine-1-carboxylate
CID 54596037
tert-butyl 2,3-bis(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxylate
CID 175337657
tert-butyl 4-hydroxy-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 68927757

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxy-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-hydroxy-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate (CID 135274231) is tert-butyl 3-hydroxy-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-hydroxy-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-hydroxy-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate is Cc1cc2cn[nH]c2cc1C1CCN(C(=O)OC(C)(C)C)CC1O.
What is the InChIKey of tert-butyl 3-hydroxy-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate?
The InChIKey is BYMVKTUBROQIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-11-7-12-9-19-20-15(12)8-14(11)13-5-6-21(10-16(13)22)17(23)24-18(2,3)4/h7-9,13,16,22H,5-6,10H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl 3-hydroxy-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate?
tert-butyl 3-hydroxy-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate has a molecular weight of 331.42 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxy-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate is sourced from PubChem (CID 135274231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).