[1-(oxan-4-yl)piperidin-4-yl]carbamic acid

C11H20N2O3 — CID 66819756

IUPAC[1-(oxan-4-yl)piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C11H20N2O3/c14-11(15)12-9-1-5-13(6-2-9)10-3-7-16-8-4-10/h9-10,12H,1-8H2,(H,14,15)
InChIKeyZEFMGJWJDADJQE-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.90
Rot. Bonds2

About [1-(oxan-4-yl)piperidin-4-yl]carbamic acid

[1-(oxan-4-yl)piperidin-4-yl]carbamic acid (PubChem CID 66819756) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is [1-(oxan-4-yl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(oxan-4-yl)piperidin-4-yl]carbamic acid
PubChem CID66819756
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name[1-(oxan-4-yl)piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C11H20N2O3/c14-11(15)12-9-1-5-13(6-2-9)10-3-7-16-8-4-10/h9-10,12H,1-8H2,(H,14,15)
InChIKeyZEFMGJWJDADJQE-UHFFFAOYSA-N
XLogP0.90
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(oxan-4-yl)piperidin-4-yl]carbamic acid?
The IUPAC name of [1-(oxan-4-yl)piperidin-4-yl]carbamic acid (CID 66819756) is [1-(oxan-4-yl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-(oxan-4-yl)piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-(oxan-4-yl)piperidin-4-yl]carbamic acid is O=C(O)NC1CCN(C2CCOCC2)CC1.
What is the InChIKey of [1-(oxan-4-yl)piperidin-4-yl]carbamic acid?
The InChIKey is ZEFMGJWJDADJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c14-11(15)12-9-1-5-13(6-2-9)10-3-7-16-8-4-10/h9-10,12H,1-8H2,(H,14,15).
What are the key properties of [1-(oxan-4-yl)piperidin-4-yl]carbamic acid?
[1-(oxan-4-yl)piperidin-4-yl]carbamic acid has a molecular weight of 228.29 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-4-yl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 66819756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).