piperidin-4-ylmethanol;propanoic acid

C9H19NO3 — CID 157302555

IUPACpiperidin-4-ylmethanol;propanoic acid
SMILESCCC(=O)O.OCC1CCNCC1
InChIInChI=1S/C6H13NO.C3H6O2/c8-5-6-1-3-7-4-2-6;1-2-3(4)5/h6-8H,1-5H2;2H2,1H3,(H,4,5)
InChIKeyBCBNESQRBUPQNB-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.46
Rot. Bonds2

About piperidin-4-ylmethanol;propanoic acid

piperidin-4-ylmethanol;propanoic acid (PubChem CID 157302555) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is piperidin-4-ylmethanol;propanoic acid.

Molecular Properties

Compound Namepiperidin-4-ylmethanol;propanoic acid
PubChem CID157302555
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Namepiperidin-4-ylmethanol;propanoic acid
SMILESCCC(=O)O.OCC1CCNCC1
InChIInChI=1S/C6H13NO.C3H6O2/c8-5-6-1-3-7-4-2-6;1-2-3(4)5/h6-8H,1-5H2;2H2,1H3,(H,4,5)
InChIKeyBCBNESQRBUPQNB-UHFFFAOYSA-N
XLogP0.46
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze piperidin-4-ylmethanol;propanoic acid 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 piperidin-4-ylmethanol;propanoic acid?
The IUPAC name of piperidin-4-ylmethanol;propanoic acid (CID 157302555) is piperidin-4-ylmethanol;propanoic acid.
What is the SMILES notation for piperidin-4-ylmethanol;propanoic acid?
The canonical SMILES for piperidin-4-ylmethanol;propanoic acid is CCC(=O)O.OCC1CCNCC1.
What is the InChIKey of piperidin-4-ylmethanol;propanoic acid?
The InChIKey is BCBNESQRBUPQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C3H6O2/c8-5-6-1-3-7-4-2-6;1-2-3(4)5/h6-8H,1-5H2;2H2,1H3,(H,4,5).
What are the key properties of piperidin-4-ylmethanol;propanoic acid?
piperidin-4-ylmethanol;propanoic acid has a molecular weight of 189.25 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethanol;propanoic acid is sourced from PubChem (CID 157302555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).