propyl 10-hydroxy-11-piperidin-1-ylundecanoate

C19H37NO3 — CID 3927021

IUPACpropyl 10-hydroxy-11-piperidin-1-ylundecanoate
SMILESCCCOC(=O)CCCCCCCCC(O)CN1CCCCC1
InChIInChI=1S/C19H37NO3/c1-2-16-23-19(22)13-9-6-4-3-5-8-12-18(21)17-20-14-10-7-11-15-20/h18,21H,2-17H2,1H3
InChIKeyKVYUUDFRZRYYEE-UHFFFAOYSA-N
MW327.51 g/mol
LogP3.91
Rot. Bonds13

About propyl 10-hydroxy-11-piperidin-1-ylundecanoate

propyl 10-hydroxy-11-piperidin-1-ylundecanoate (PubChem CID 3927021) has the molecular formula C19H37NO3 and a molecular weight of 327.51 g/mol. Its IUPAC name is propyl 10-hydroxy-11-piperidin-1-ylundecanoate.

Molecular Properties

Compound Namepropyl 10-hydroxy-11-piperidin-1-ylundecanoate
PubChem CID3927021
Molecular FormulaC19H37NO3
Molecular Weight327.51 g/mol
Exact Mass327.28
IUPAC Namepropyl 10-hydroxy-11-piperidin-1-ylundecanoate
SMILESCCCOC(=O)CCCCCCCCC(O)CN1CCCCC1
InChIInChI=1S/C19H37NO3/c1-2-16-23-19(22)13-9-6-4-3-5-8-12-18(21)17-20-14-10-7-11-15-20/h18,21H,2-17H2,1H3
InChIKeyKVYUUDFRZRYYEE-UHFFFAOYSA-N
XLogP3.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propyl 10-hydroxy-11-piperidin-1-ylundecanoate?
The IUPAC name of propyl 10-hydroxy-11-piperidin-1-ylundecanoate (CID 3927021) is propyl 10-hydroxy-11-piperidin-1-ylundecanoate.
What is the SMILES notation for propyl 10-hydroxy-11-piperidin-1-ylundecanoate?
The canonical SMILES for propyl 10-hydroxy-11-piperidin-1-ylundecanoate is CCCOC(=O)CCCCCCCCC(O)CN1CCCCC1.
What is the InChIKey of propyl 10-hydroxy-11-piperidin-1-ylundecanoate?
The InChIKey is KVYUUDFRZRYYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO3/c1-2-16-23-19(22)13-9-6-4-3-5-8-12-18(21)17-20-14-10-7-11-15-20/h18,21H,2-17H2,1H3.
What are the key properties of propyl 10-hydroxy-11-piperidin-1-ylundecanoate?
propyl 10-hydroxy-11-piperidin-1-ylundecanoate has a molecular weight of 327.51 g/mol, XLogP of 3.91, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 10-hydroxy-11-piperidin-1-ylundecanoate is sourced from PubChem (CID 3927021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).