3-piperidin-1-ium-4-ylpropan-1-ol

C8H18NO+ — CID 7544928

IUPAC3-piperidin-1-ium-4-ylpropan-1-ol
SMILESOCCCC1CC[NH2+]CC1
InChIInChI=1S/C8H17NO/c10-7-1-2-8-3-5-9-6-4-8/h8-10H,1-7H2/p+1
InChIKeyDBIMLJDSPUCGGY-UHFFFAOYSA-O
MW144.24 g/mol
LogP-0.27
Rot. Bonds3

About 3-piperidin-1-ium-4-ylpropan-1-ol

3-piperidin-1-ium-4-ylpropan-1-ol (PubChem CID 7544928) has the molecular formula C8H18NO+ and a molecular weight of 144.24 g/mol. Its IUPAC name is 3-piperidin-1-ium-4-ylpropan-1-ol.

Molecular Properties

Compound Name3-piperidin-1-ium-4-ylpropan-1-ol
PubChem CID7544928
Molecular FormulaC8H18NO+
Molecular Weight144.24 g/mol
Exact Mass144.14
IUPAC Name3-piperidin-1-ium-4-ylpropan-1-ol
SMILESOCCCC1CC[NH2+]CC1
InChIInChI=1S/C8H17NO/c10-7-1-2-8-3-5-9-6-4-8/h8-10H,1-7H2/p+1
InChIKeyDBIMLJDSPUCGGY-UHFFFAOYSA-O
XLogP-0.27
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ium-4-ylpropan-1-ol?
The IUPAC name of 3-piperidin-1-ium-4-ylpropan-1-ol (CID 7544928) is 3-piperidin-1-ium-4-ylpropan-1-ol.
What is the SMILES notation for 3-piperidin-1-ium-4-ylpropan-1-ol?
The canonical SMILES for 3-piperidin-1-ium-4-ylpropan-1-ol is OCCCC1CC[NH2+]CC1.
What is the InChIKey of 3-piperidin-1-ium-4-ylpropan-1-ol?
The InChIKey is DBIMLJDSPUCGGY-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17NO/c10-7-1-2-8-3-5-9-6-4-8/h8-10H,1-7H2/p+1.
What are the key properties of 3-piperidin-1-ium-4-ylpropan-1-ol?
3-piperidin-1-ium-4-ylpropan-1-ol has a molecular weight of 144.24 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ium-4-ylpropan-1-ol is sourced from PubChem (CID 7544928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).