formic acid;piperidin-4-ylmethanol

C7H15NO3 — CID 160930096

IUPACformic acid;piperidin-4-ylmethanol
SMILESO=CO.OCC1CCNCC1
InChIInChI=1S/C6H13NO.CH2O2/c8-5-6-1-3-7-4-2-6;2-1-3/h6-8H,1-5H2;1H,(H,2,3)
InChIKeySTDOBGCVLHWKTH-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.32
Rot. Bonds1

About formic acid;piperidin-4-ylmethanol

formic acid;piperidin-4-ylmethanol (PubChem CID 160930096) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is formic acid;piperidin-4-ylmethanol.

Molecular Properties

Compound Nameformic acid;piperidin-4-ylmethanol
PubChem CID160930096
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Nameformic acid;piperidin-4-ylmethanol
SMILESO=CO.OCC1CCNCC1
InChIInChI=1S/C6H13NO.CH2O2/c8-5-6-1-3-7-4-2-6;2-1-3/h6-8H,1-5H2;1H,(H,2,3)
InChIKeySTDOBGCVLHWKTH-UHFFFAOYSA-N
XLogP-0.32
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;piperidin-4-ylmethanol?
The IUPAC name of formic acid;piperidin-4-ylmethanol (CID 160930096) is formic acid;piperidin-4-ylmethanol.
What is the SMILES notation for formic acid;piperidin-4-ylmethanol?
The canonical SMILES for formic acid;piperidin-4-ylmethanol is O=CO.OCC1CCNCC1.
What is the InChIKey of formic acid;piperidin-4-ylmethanol?
The InChIKey is STDOBGCVLHWKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.CH2O2/c8-5-6-1-3-7-4-2-6;2-1-3/h6-8H,1-5H2;1H,(H,2,3).
What are the key properties of formic acid;piperidin-4-ylmethanol?
formic acid;piperidin-4-ylmethanol has a molecular weight of 161.20 g/mol, XLogP of -0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;piperidin-4-ylmethanol is sourced from PubChem (CID 160930096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).