tert-butyl 4-(5-tert-butyl-2-hydroxyphenyl)piperidine-1-carboxylate

C20H31NO3 — CID 171109282

IUPACtert-butyl 4-(5-tert-butyl-2-hydroxyphenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc(C(C)(C)C)ccc2O)CC1
InChIInChI=1S/C20H31NO3/c1-19(2,3)15-7-8-17(22)16(13-15)14-9-11-21(12-10-14)18(23)24-20(4,5)6/h7-8,13-14,22H,9-12H2,1-6H3
InChIKeyATCMGQUYDFECRM-UHFFFAOYSA-N
MW333.47 g/mol
LogP4.80
Rot. Bonds1

About tert-butyl 4-(5-tert-butyl-2-hydroxyphenyl)piperidine-1-carboxylate

tert-butyl 4-(5-tert-butyl-2-hydroxyphenyl)piperidine-1-carboxylate (PubChem CID 171109282) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is tert-butyl 4-(5-tert-butyl-2-hydroxyphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-tert-butyl-2-hydroxyphenyl)piperidine-1-carboxylate
PubChem CID171109282
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Nametert-butyl 4-(5-tert-butyl-2-hydroxyphenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc(C(C)(C)C)ccc2O)CC1
InChIInChI=1S/C20H31NO3/c1-19(2,3)15-7-8-17(22)16(13-15)14-9-11-21(12-10-14)18(23)24-20(4,5)6/h7-8,13-14,22H,9-12H2,1-6H3
InChIKeyATCMGQUYDFECRM-UHFFFAOYSA-N
XLogP4.80
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[2-hydroxy-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 118550893
tert-butyl 4-[2-hydroxy-5-(2-methoxy-2-oxoethyl)phenyl]piperidine-1-carboxylate
CID 171369398
tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate
CID 130377896
tert-butyl 4-(4-chloro-2-hydroxyphenyl)piperidine-1-carboxylate
CID 58222053
tert-butyl 4-(2,4-dichlorophenyl)piperidine-1-carboxylate
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tert-butyl 4-(3-fluoro-4-hydroxyphenyl)piperidine-1-carboxylate
CID 135194075
tert-butyl 3-(4-tert-butylphenyl)pyrrolidine-1-carboxylate
CID 169495150
tert-butyl 4-(2-amino-5-methylphenyl)piperidine-1-carboxylate
CID 172675049
tert-butyl 4-(2,3-difluoro-6-hydroxyphenyl)piperidine-1-carboxylate
CID 58149951
4-tert-butyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]benzoic acid
CID 66523371
tert-butyl 4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 118483512
tert-butyl 4-(2-fluoro-6-hydroxyphenyl)piperidine-1-carboxylate
CID 53485826

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-tert-butyl-2-hydroxyphenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-tert-butyl-2-hydroxyphenyl)piperidine-1-carboxylate (CID 171109282) is tert-butyl 4-(5-tert-butyl-2-hydroxyphenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-tert-butyl-2-hydroxyphenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-tert-butyl-2-hydroxyphenyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cc(C(C)(C)C)ccc2O)CC1.
What is the InChIKey of tert-butyl 4-(5-tert-butyl-2-hydroxyphenyl)piperidine-1-carboxylate?
The InChIKey is ATCMGQUYDFECRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-19(2,3)15-7-8-17(22)16(13-15)14-9-11-21(12-10-14)18(23)24-20(4,5)6/h7-8,13-14,22H,9-12H2,1-6H3.
What are the key properties of tert-butyl 4-(5-tert-butyl-2-hydroxyphenyl)piperidine-1-carboxylate?
tert-butyl 4-(5-tert-butyl-2-hydroxyphenyl)piperidine-1-carboxylate has a molecular weight of 333.47 g/mol, XLogP of 4.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-tert-butyl-2-hydroxyphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 171109282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).