[1-acetyl-2-(hydroxymethyl)piperidin-3-yl]azanium

C8H17N2O2+ — CID 163421854

IUPAC[1-acetyl-2-(hydroxymethyl)piperidin-3-yl]azanium
SMILESCC(=O)N1CCCC([NH3+])C1CO
InChIInChI=1S/C8H16N2O2/c1-6(12)10-4-2-3-7(9)8(10)5-11/h7-8,11H,2-5,9H2,1H3/p+1
InChIKeyAJCLXJLOYXKKPM-UHFFFAOYSA-O
MW173.24 g/mol
LogP-1.40
Rot. Bonds1

About [1-acetyl-2-(hydroxymethyl)piperidin-3-yl]azanium

[1-acetyl-2-(hydroxymethyl)piperidin-3-yl]azanium (PubChem CID 163421854) has the molecular formula C8H17N2O2+ and a molecular weight of 173.24 g/mol. Its IUPAC name is [1-acetyl-2-(hydroxymethyl)piperidin-3-yl]azanium.

Molecular Properties

Compound Name[1-acetyl-2-(hydroxymethyl)piperidin-3-yl]azanium
PubChem CID163421854
Molecular FormulaC8H17N2O2+
Molecular Weight173.24 g/mol
Exact Mass173.13
IUPAC Name[1-acetyl-2-(hydroxymethyl)piperidin-3-yl]azanium
SMILESCC(=O)N1CCCC([NH3+])C1CO
InChIInChI=1S/C8H16N2O2/c1-6(12)10-4-2-3-7(9)8(10)5-11/h7-8,11H,2-5,9H2,1H3/p+1
InChIKeyAJCLXJLOYXKKPM-UHFFFAOYSA-O
XLogP-1.40
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-acetyl-2-(hydroxymethyl)piperidin-3-yl]azanium?
The IUPAC name of [1-acetyl-2-(hydroxymethyl)piperidin-3-yl]azanium (CID 163421854) is [1-acetyl-2-(hydroxymethyl)piperidin-3-yl]azanium.
What is the SMILES notation for [1-acetyl-2-(hydroxymethyl)piperidin-3-yl]azanium?
The canonical SMILES for [1-acetyl-2-(hydroxymethyl)piperidin-3-yl]azanium is CC(=O)N1CCCC([NH3+])C1CO.
What is the InChIKey of [1-acetyl-2-(hydroxymethyl)piperidin-3-yl]azanium?
The InChIKey is AJCLXJLOYXKKPM-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H16N2O2/c1-6(12)10-4-2-3-7(9)8(10)5-11/h7-8,11H,2-5,9H2,1H3/p+1.
What are the key properties of [1-acetyl-2-(hydroxymethyl)piperidin-3-yl]azanium?
[1-acetyl-2-(hydroxymethyl)piperidin-3-yl]azanium has a molecular weight of 173.24 g/mol, XLogP of -1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-acetyl-2-(hydroxymethyl)piperidin-3-yl]azanium is sourced from PubChem (CID 163421854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).