[4-(hydroxymethyl)piperidin-1-yl]azanium

C6H15N2O+ — CID 144889988

IUPAC[4-(hydroxymethyl)piperidin-1-yl]azanium
SMILES[NH3+]N1CCC(CO)CC1
InChIInChI=1S/C6H14N2O/c7-8-3-1-6(5-9)2-4-8/h6,9H,1-5,7H2/p+1
InChIKeyLBVKEILTXKBGTC-UHFFFAOYSA-O
MW131.20 g/mol
LogP-1.15
Rot. Bonds1

About [4-(hydroxymethyl)piperidin-1-yl]azanium

[4-(hydroxymethyl)piperidin-1-yl]azanium (PubChem CID 144889988) has the molecular formula C6H15N2O+ and a molecular weight of 131.20 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperidin-1-yl]azanium.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperidin-1-yl]azanium
PubChem CID144889988
Molecular FormulaC6H15N2O+
Molecular Weight131.20 g/mol
Exact Mass131.12
IUPAC Name[4-(hydroxymethyl)piperidin-1-yl]azanium
SMILES[NH3+]N1CCC(CO)CC1
InChIInChI=1S/C6H14N2O/c7-8-3-1-6(5-9)2-4-8/h6,9H,1-5,7H2/p+1
InChIKeyLBVKEILTXKBGTC-UHFFFAOYSA-O
XLogP-1.15
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [4-(hydroxymethyl)piperidin-1-yl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]azanium?
The IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]azanium (CID 144889988) is [4-(hydroxymethyl)piperidin-1-yl]azanium.
What is the SMILES notation for [4-(hydroxymethyl)piperidin-1-yl]azanium?
The canonical SMILES for [4-(hydroxymethyl)piperidin-1-yl]azanium is [NH3+]N1CCC(CO)CC1.
What is the InChIKey of [4-(hydroxymethyl)piperidin-1-yl]azanium?
The InChIKey is LBVKEILTXKBGTC-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H14N2O/c7-8-3-1-6(5-9)2-4-8/h6,9H,1-5,7H2/p+1.
What are the key properties of [4-(hydroxymethyl)piperidin-1-yl]azanium?
[4-(hydroxymethyl)piperidin-1-yl]azanium has a molecular weight of 131.20 g/mol, XLogP of -1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)piperidin-1-yl]azanium is sourced from PubChem (CID 144889988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).