tert-butyl 4-hydroxy-4-pyridin-4-ylpiperidine-1-carboxylate

C15H22N2O3 — CID 11076767

IUPACtert-butyl 4-hydroxy-4-pyridin-4-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(c2ccncc2)CC1
InChIInChI=1S/C15H22N2O3/c1-14(2,3)20-13(18)17-10-6-15(19,7-11-17)12-4-8-16-9-5-12/h4-5,8-9,19H,6-7,10-11H2,1-3H3
InChIKeyKBSJLEKTAOOJKF-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.30
Rot. Bonds1

About tert-butyl 4-hydroxy-4-pyridin-4-ylpiperidine-1-carboxylate

tert-butyl 4-hydroxy-4-pyridin-4-ylpiperidine-1-carboxylate (PubChem CID 11076767) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-pyridin-4-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-pyridin-4-ylpiperidine-1-carboxylate
PubChem CID11076767
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl 4-hydroxy-4-pyridin-4-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(c2ccncc2)CC1
InChIInChI=1S/C15H22N2O3/c1-14(2,3)20-13(18)17-10-6-15(19,7-11-17)12-4-8-16-9-5-12/h4-5,8-9,19H,6-7,10-11H2,1-3H3
InChIKeyKBSJLEKTAOOJKF-UHFFFAOYSA-N
XLogP2.30
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-Di-3-pyridylbutane-2,3-diol
CID 579621
2-(4-Pyridyl)-2-propanol
CID 4580583
2-(Pyridin-3-yl)propan-2-ol
CID 10725403
4-(4-Pyridinyl)-4-piperidinol
CID 3726959
2,3-Di(4-pyridyl)-2,3-butanediol
CID 3720110
4-Pyridinemethanol, alpha-methyl-alpha-(phenylethynyl)-
CID 3043560
4-Pyridinemethanol, alpha-methyl-alpha-(2-phenylvinyl)-, (Z)-
CID 6446245
Tert-butyl 4-(2-fluoropyridin-3-yl)piperidine-1-carboxylate
CID 138487988
4-(2,6-Dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-4-ylbutan-1-ol
CID 14810551
2-Pyridin-3-ylethyl 4-methoxypiperidine-1-carboxylate
CID 172434694
Tert-butyl 4-(2-fluoropyridin-4-yl)piperidine-1-carboxylate
CID 68425226
tert-Butyl 4-(pyridin-3-yl)piperidine-1-carboxylate
CID 22061323

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-4-pyridin-4-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-4-pyridin-4-ylpiperidine-1-carboxylate (CID 11076767) is tert-butyl 4-hydroxy-4-pyridin-4-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-4-pyridin-4-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-4-pyridin-4-ylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(c2ccncc2)CC1.
What is the InChIKey of tert-butyl 4-hydroxy-4-pyridin-4-ylpiperidine-1-carboxylate?
The InChIKey is KBSJLEKTAOOJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-14(2,3)20-13(18)17-10-6-15(19,7-11-17)12-4-8-16-9-5-12/h4-5,8-9,19H,6-7,10-11H2,1-3H3.
What are the key properties of tert-butyl 4-hydroxy-4-pyridin-4-ylpiperidine-1-carboxylate?
tert-butyl 4-hydroxy-4-pyridin-4-ylpiperidine-1-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-4-pyridin-4-ylpiperidine-1-carboxylate is sourced from PubChem (CID 11076767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).