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

C16H23NO3 — CID 69482474

IUPACtert-butyl 1-(4-hydroxyphenyl)piperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)C1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C16H23NO3/c1-16(2,3)20-15(19)12-8-10-17(11-9-12)13-4-6-14(18)7-5-13/h4-7,12,18H,8-11H2,1-3H3
InChIKeyMHSFQHOZZBMAGT-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.95
Rot. Bonds2

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

tert-butyl 1-(4-hydroxyphenyl)piperidine-4-carboxylate (PubChem CID 69482474) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is tert-butyl 1-(4-hydroxyphenyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(4-hydroxyphenyl)piperidine-4-carboxylate
PubChem CID69482474
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nametert-butyl 1-(4-hydroxyphenyl)piperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)C1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C16H23NO3/c1-16(2,3)20-15(19)12-8-10-17(11-9-12)13-4-6-14(18)7-5-13/h4-7,12,18H,8-11H2,1-3H3
InChIKeyMHSFQHOZZBMAGT-UHFFFAOYSA-N
XLogP2.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 1-(4-methoxycarbonylphenyl)piperidine-4-carboxylate
CID 146819041
tert-butyl 1-(4-aminophenyl)pyrrolidine-3-carboxylate
CID 142654201
tert-butyl 1-pyridin-3-ylpiperidine-4-carboxylate
CID 21334263
tert-butyl N-[1-(4-hydroxyphenyl)pyrrolidin-3-yl]carbamate
CID 142553553
4-(4-tert-butylpiperidin-1-yl)phenol
CID 164764149
tert-butyl cyclopropanecarboxylate
CID 157212632
ethyl 1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidine-4-carboxylate
CID 121443369
tert-butyl 4-(4-hydroxypiperidin-1-yl)benzoate;ethane
CID 156645380
tert-butyl 9-(4-hydroxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 170979647
tert-butyl 4-(4-aminopiperidin-1-yl)benzoate
CID 22557720
(4-methylphenyl) 1-(4-methylphenyl)piperidine-4-carboxylate
CID 139337231
tert-butyl 1-(5-bromopyrazin-2-yl)piperidine-4-carboxylate
CID 139550884

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(4-hydroxyphenyl)piperidine-4-carboxylate?
The IUPAC name of tert-butyl 1-(4-hydroxyphenyl)piperidine-4-carboxylate (CID 69482474) is tert-butyl 1-(4-hydroxyphenyl)piperidine-4-carboxylate.
What is the SMILES notation for tert-butyl 1-(4-hydroxyphenyl)piperidine-4-carboxylate?
The canonical SMILES for tert-butyl 1-(4-hydroxyphenyl)piperidine-4-carboxylate is CC(C)(C)OC(=O)C1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of tert-butyl 1-(4-hydroxyphenyl)piperidine-4-carboxylate?
The InChIKey is MHSFQHOZZBMAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(2,3)20-15(19)12-8-10-17(11-9-12)13-4-6-14(18)7-5-13/h4-7,12,18H,8-11H2,1-3H3.
What are the key properties of tert-butyl 1-(4-hydroxyphenyl)piperidine-4-carboxylate?
tert-butyl 1-(4-hydroxyphenyl)piperidine-4-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(4-hydroxyphenyl)piperidine-4-carboxylate is sourced from PubChem (CID 69482474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).