ethyl N-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]carbamate

C14H28N2O4 — CID 78879716

IUPACethyl N-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(CC(O)COC(C)C)C1
InChIInChI=1S/C14H28N2O4/c1-4-19-14(18)15-12-6-5-7-16(8-12)9-13(17)10-20-11(2)3/h11-13,17H,4-10H2,1-3H3,(H,15,18)
InChIKeyLXLBLZYEFICOIR-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.98
Rot. Bonds7

About ethyl N-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]carbamate

ethyl N-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]carbamate (PubChem CID 78879716) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is ethyl N-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]carbamate
PubChem CID78879716
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Nameethyl N-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(CC(O)COC(C)C)C1
InChIInChI=1S/C14H28N2O4/c1-4-19-14(18)15-12-6-5-7-16(8-12)9-13(17)10-20-11(2)3/h11-13,17H,4-10H2,1-3H3,(H,15,18)
InChIKeyLXLBLZYEFICOIR-UHFFFAOYSA-N
XLogP0.98
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]carbamate (CID 78879716) is ethyl N-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(CC(O)COC(C)C)C1.
What is the InChIKey of ethyl N-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]carbamate?
The InChIKey is LXLBLZYEFICOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-4-19-14(18)15-12-6-5-7-16(8-12)9-13(17)10-20-11(2)3/h11-13,17H,4-10H2,1-3H3,(H,15,18).
What are the key properties of ethyl N-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]carbamate?
ethyl N-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]carbamate has a molecular weight of 288.39 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 78879716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).