piperidin-4-ylmethanediol

C6H13NO2 — CID 5247729

IUPACpiperidin-4-ylmethanediol
SMILESOC(O)C1CCNCC1
InChIInChI=1S/C6H13NO2/c8-6(9)5-1-3-7-4-2-5/h5-9H,1-4H2
InChIKeyLDOWMNUCJSJZJV-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.70
Rot. Bonds1

About piperidin-4-ylmethanediol

piperidin-4-ylmethanediol (PubChem CID 5247729) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is piperidin-4-ylmethanediol.

Molecular Properties

Compound Namepiperidin-4-ylmethanediol
PubChem CID5247729
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Namepiperidin-4-ylmethanediol
SMILESOC(O)C1CCNCC1
InChIInChI=1S/C6H13NO2/c8-6(9)5-1-3-7-4-2-5/h5-9H,1-4H2
InChIKeyLDOWMNUCJSJZJV-UHFFFAOYSA-N
XLogP-0.70
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethanediol?
The IUPAC name of piperidin-4-ylmethanediol (CID 5247729) is piperidin-4-ylmethanediol.
What is the SMILES notation for piperidin-4-ylmethanediol?
The canonical SMILES for piperidin-4-ylmethanediol is OC(O)C1CCNCC1.
What is the InChIKey of piperidin-4-ylmethanediol?
The InChIKey is LDOWMNUCJSJZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c8-6(9)5-1-3-7-4-2-5/h5-9H,1-4H2.
What are the key properties of piperidin-4-ylmethanediol?
piperidin-4-ylmethanediol has a molecular weight of 131.18 g/mol, XLogP of -0.70, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethanediol is sourced from PubChem (CID 5247729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).