[1-[4-(1-aminoethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-2-yl] formate

C12H24N2O3 — CID 171475172

IUPAC[1-[4-(1-aminoethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-2-yl] formate
SMILESCC(N)C1(O)CCN(CC(C)(C)OC=O)CC1
InChIInChI=1S/C12H24N2O3/c1-10(13)12(16)4-6-14(7-5-12)8-11(2,3)17-9-15/h9-10,16H,4-8,13H2,1-3H3
InChIKeyYNURMWCOWCGAML-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.11
Rot. Bonds5

About [1-[4-(1-aminoethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-2-yl] formate

[1-[4-(1-aminoethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-2-yl] formate (PubChem CID 171475172) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is [1-[4-(1-aminoethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-2-yl] formate.

Molecular Properties

Compound Name[1-[4-(1-aminoethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-2-yl] formate
PubChem CID171475172
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name[1-[4-(1-aminoethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-2-yl] formate
SMILESCC(N)C1(O)CCN(CC(C)(C)OC=O)CC1
InChIInChI=1S/C12H24N2O3/c1-10(13)12(16)4-6-14(7-5-12)8-11(2,3)17-9-15/h9-10,16H,4-8,13H2,1-3H3
InChIKeyYNURMWCOWCGAML-UHFFFAOYSA-N
XLogP0.11
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(1-aminoethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-2-yl] formate?
The IUPAC name of [1-[4-(1-aminoethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-2-yl] formate (CID 171475172) is [1-[4-(1-aminoethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-2-yl] formate.
What is the SMILES notation for [1-[4-(1-aminoethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-2-yl] formate?
The canonical SMILES for [1-[4-(1-aminoethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-2-yl] formate is CC(N)C1(O)CCN(CC(C)(C)OC=O)CC1.
What is the InChIKey of [1-[4-(1-aminoethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-2-yl] formate?
The InChIKey is YNURMWCOWCGAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-10(13)12(16)4-6-14(7-5-12)8-11(2,3)17-9-15/h9-10,16H,4-8,13H2,1-3H3.
What are the key properties of [1-[4-(1-aminoethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-2-yl] formate?
[1-[4-(1-aminoethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-2-yl] formate has a molecular weight of 244.33 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(1-aminoethyl)-4-hydroxypiperidin-1-yl]-2-methylpropan-2-yl] formate is sourced from PubChem (CID 171475172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).