2-piperidin-4-ylpropan-2-yl hex-5-enoate

C14H25NO2 — CID 155075685

IUPAC2-piperidin-4-ylpropan-2-yl hex-5-enoate
SMILESC=CCCCC(=O)OC(C)(C)C1CCNCC1
InChIInChI=1S/C14H25NO2/c1-4-5-6-7-13(16)17-14(2,3)12-8-10-15-11-9-12/h4,12,15H,1,5-11H2,2-3H3
InChIKeyBJDNIWXHRYMFSJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.66
Rot. Bonds6

About 2-piperidin-4-ylpropan-2-yl hex-5-enoate

2-piperidin-4-ylpropan-2-yl hex-5-enoate (PubChem CID 155075685) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl hex-5-enoate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl hex-5-enoate
PubChem CID155075685
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-piperidin-4-ylpropan-2-yl hex-5-enoate
SMILESC=CCCCC(=O)OC(C)(C)C1CCNCC1
InChIInChI=1S/C14H25NO2/c1-4-5-6-7-13(16)17-14(2,3)12-8-10-15-11-9-12/h4,12,15H,1,5-11H2,2-3H3
InChIKeyBJDNIWXHRYMFSJ-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.66
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 hex-5-enoate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl hex-5-enoate (CID 155075685) is 2-piperidin-4-ylpropan-2-yl hex-5-enoate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl hex-5-enoate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl hex-5-enoate is C=CCCCC(=O)OC(C)(C)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl hex-5-enoate?
The InChIKey is BJDNIWXHRYMFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-5-6-7-13(16)17-14(2,3)12-8-10-15-11-9-12/h4,12,15H,1,5-11H2,2-3H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl hex-5-enoate?
2-piperidin-4-ylpropan-2-yl hex-5-enoate has a molecular weight of 239.36 g/mol, XLogP of 2.66, 6 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 hex-5-enoate is sourced from PubChem (CID 155075685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).