2-piperidin-4-ylpropan-2-yl undec-10-enoate

C19H35NO2 — CID 155075597

IUPAC2-piperidin-4-ylpropan-2-yl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OC(C)(C)C1CCNCC1
InChIInChI=1S/C19H35NO2/c1-4-5-6-7-8-9-10-11-12-18(21)22-19(2,3)17-13-15-20-16-14-17/h4,17,20H,1,5-16H2,2-3H3
InChIKeyIVIVULWLGWSQBU-UHFFFAOYSA-N
MW309.49 g/mol
LogP4.61
Rot. Bonds11

About 2-piperidin-4-ylpropan-2-yl undec-10-enoate

2-piperidin-4-ylpropan-2-yl undec-10-enoate (PubChem CID 155075597) has the molecular formula C19H35NO2 and a molecular weight of 309.49 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl undec-10-enoate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl undec-10-enoate
PubChem CID155075597
Molecular FormulaC19H35NO2
Molecular Weight309.49 g/mol
Exact Mass309.27
IUPAC Name2-piperidin-4-ylpropan-2-yl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OC(C)(C)C1CCNCC1
InChIInChI=1S/C19H35NO2/c1-4-5-6-7-8-9-10-11-12-18(21)22-19(2,3)17-13-15-20-16-14-17/h4,17,20H,1,5-16H2,2-3H3
InChIKeyIVIVULWLGWSQBU-UHFFFAOYSA-N
XLogP4.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl undec-10-enoate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl undec-10-enoate (CID 155075597) is 2-piperidin-4-ylpropan-2-yl undec-10-enoate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl undec-10-enoate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl undec-10-enoate is C=CCCCCCCCCC(=O)OC(C)(C)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl undec-10-enoate?
The InChIKey is IVIVULWLGWSQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO2/c1-4-5-6-7-8-9-10-11-12-18(21)22-19(2,3)17-13-15-20-16-14-17/h4,17,20H,1,5-16H2,2-3H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl undec-10-enoate?
2-piperidin-4-ylpropan-2-yl undec-10-enoate has a molecular weight of 309.49 g/mol, XLogP of 4.61, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl undec-10-enoate is sourced from PubChem (CID 155075597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).