4-(1-tert-butyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile

C15H26N2O2 — CID 137371331

IUPAC4-(1-tert-butyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile
SMILESCC(C)(C)N1CCC(O)(C2(C#N)CCOCC2)CC1
InChIInChI=1S/C15H26N2O2/c1-13(2,3)17-8-4-15(18,5-9-17)14(12-16)6-10-19-11-7-14/h18H,4-11H2,1-3H3
InChIKeyFXTCYHFXXKGDSW-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.93
Rot. Bonds1

About 4-(1-tert-butyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile

4-(1-tert-butyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile (PubChem CID 137371331) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-(1-tert-butyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile.

Molecular Properties

Compound Name4-(1-tert-butyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile
PubChem CID137371331
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-(1-tert-butyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile
SMILESCC(C)(C)N1CCC(O)(C2(C#N)CCOCC2)CC1
InChIInChI=1S/C15H26N2O2/c1-13(2,3)17-8-4-15(18,5-9-17)14(12-16)6-10-19-11-7-14/h18H,4-11H2,1-3H3
InChIKeyFXTCYHFXXKGDSW-UHFFFAOYSA-N
XLogP1.93
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile?
The IUPAC name of 4-(1-tert-butyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile (CID 137371331) is 4-(1-tert-butyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile.
What is the SMILES notation for 4-(1-tert-butyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile?
The canonical SMILES for 4-(1-tert-butyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile is CC(C)(C)N1CCC(O)(C2(C#N)CCOCC2)CC1.
What is the InChIKey of 4-(1-tert-butyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile?
The InChIKey is FXTCYHFXXKGDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-13(2,3)17-8-4-15(18,5-9-17)14(12-16)6-10-19-11-7-14/h18H,4-11H2,1-3H3.
What are the key properties of 4-(1-tert-butyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile?
4-(1-tert-butyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile has a molecular weight of 266.38 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile is sourced from PubChem (CID 137371331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).