tert-butyl N-[1-(4-hydroxyoxan-4-yl)piperidin-4-yl]carbamate

C15H28N2O4 — CID 70290079

IUPACtert-butyl N-[1-(4-hydroxyoxan-4-yl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C2(O)CCOCC2)CC1
InChIInChI=1S/C15H28N2O4/c1-14(2,3)21-13(18)16-12-4-8-17(9-5-12)15(19)6-10-20-11-7-15/h12,19H,4-11H2,1-3H3,(H,16,18)
InChIKeyKWPQVYZEVCQQIT-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.47
Rot. Bonds2

About tert-butyl N-[1-(4-hydroxyoxan-4-yl)piperidin-4-yl]carbamate

tert-butyl N-[1-(4-hydroxyoxan-4-yl)piperidin-4-yl]carbamate (PubChem CID 70290079) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is tert-butyl N-[1-(4-hydroxyoxan-4-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-hydroxyoxan-4-yl)piperidin-4-yl]carbamate
PubChem CID70290079
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nametert-butyl N-[1-(4-hydroxyoxan-4-yl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C2(O)CCOCC2)CC1
InChIInChI=1S/C15H28N2O4/c1-14(2,3)21-13(18)16-12-4-8-17(9-5-12)15(19)6-10-20-11-7-15/h12,19H,4-11H2,1-3H3,(H,16,18)
InChIKeyKWPQVYZEVCQQIT-UHFFFAOYSA-N
XLogP1.47
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-hydroxyoxan-4-yl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-hydroxyoxan-4-yl)piperidin-4-yl]carbamate (CID 70290079) is tert-butyl N-[1-(4-hydroxyoxan-4-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-hydroxyoxan-4-yl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-hydroxyoxan-4-yl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C2(O)CCOCC2)CC1.
What is the InChIKey of tert-butyl N-[1-(4-hydroxyoxan-4-yl)piperidin-4-yl]carbamate?
The InChIKey is KWPQVYZEVCQQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-14(2,3)21-13(18)16-12-4-8-17(9-5-12)15(19)6-10-20-11-7-15/h12,19H,4-11H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[1-(4-hydroxyoxan-4-yl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(4-hydroxyoxan-4-yl)piperidin-4-yl]carbamate has a molecular weight of 300.40 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-hydroxyoxan-4-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 70290079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).