ethanol;piperidin-4-ol

C7H17NO2 — CID 23209309

IUPACethanol;piperidin-4-ol
SMILESCCO.OC1CCNCC1
InChIInChI=1S/C5H11NO.C2H6O/c7-5-1-3-6-4-2-5;1-2-3/h5-7H,1-4H2;3H,2H2,1H3
InChIKeyQWUSZZFQJJEAKG-UHFFFAOYSA-N
MW147.22 g/mol
LogP-0.27
Rot. Bonds

About ethanol;piperidin-4-ol

ethanol;piperidin-4-ol (PubChem CID 23209309) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is ethanol;piperidin-4-ol.

Molecular Properties

Compound Nameethanol;piperidin-4-ol
PubChem CID23209309
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Nameethanol;piperidin-4-ol
SMILESCCO.OC1CCNCC1
InChIInChI=1S/C5H11NO.C2H6O/c7-5-1-3-6-4-2-5;1-2-3/h5-7H,1-4H2;3H,2H2,1H3
InChIKeyQWUSZZFQJJEAKG-UHFFFAOYSA-N
XLogP-0.27
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethanol;piperidin-4-ol?
The IUPAC name of ethanol;piperidin-4-ol (CID 23209309) is ethanol;piperidin-4-ol.
What is the SMILES notation for ethanol;piperidin-4-ol?
The canonical SMILES for ethanol;piperidin-4-ol is CCO.OC1CCNCC1.
What is the InChIKey of ethanol;piperidin-4-ol?
The InChIKey is QWUSZZFQJJEAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C2H6O/c7-5-1-3-6-4-2-5;1-2-3/h5-7H,1-4H2;3H,2H2,1H3.
What are the key properties of ethanol;piperidin-4-ol?
ethanol;piperidin-4-ol has a molecular weight of 147.22 g/mol, XLogP of -0.27, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;piperidin-4-ol is sourced from PubChem (CID 23209309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).