2-piperidin-4-ylpropan-2-yl (Z)-hex-3-enoate

C14H25NO2 — CID 155075694

IUPAC2-piperidin-4-ylpropan-2-yl (Z)-hex-3-enoate
SMILESCC/C=C\CC(=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/h5-6,12,15H,4,7-11H2,1-3H3/b6-5-
InChIKeyHZIZJJXSILTCCA-WAYWQWQTSA-N
MW239.36 g/mol
LogP2.66
Rot. Bonds5

About 2-piperidin-4-ylpropan-2-yl (Z)-hex-3-enoate

2-piperidin-4-ylpropan-2-yl (Z)-hex-3-enoate (PubChem CID 155075694) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl (Z)-hex-3-enoate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl (Z)-hex-3-enoate
PubChem CID155075694
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-piperidin-4-ylpropan-2-yl (Z)-hex-3-enoate
SMILESCC/C=C\CC(=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/h5-6,12,15H,4,7-11H2,1-3H3/b6-5-
InChIKeyHZIZJJXSILTCCA-WAYWQWQTSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-piperidin-4-ylpropan-2-yl propanoate
CID 155605403
2-piperidin-4-ylpropan-2-yl heptanoate
CID 155075502
2-piperidin-4-ylpropan-2-yl 2-sulfanylacetate
CID 168757919
1-O-tert-butyl 12-O-(2-piperidin-4-ylpropan-2-yl) dodecanedioate
CID 155075819
2-piperidin-4-ylpropan-2-yl 3,3-difluorobutanoate
CID 157326852
2-piperidin-4-ylpropan-2-yl 6-bromohexanoate
CID 155605241
2-piperidin-4-ylpropan-2-yl 3-[3-oxo-3-(2-piperidin-4-ylpropan-2-yloxy)propyl]sulfanylpropanoate
CID 155075563
tetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate
CID 155075585
bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate
CID 155075566
tert-butyl hex-3-enoate
CID 147801366
2-piperidin-4-ylpropan-2-yl 3-methylbut-2-enoate
CID 155075946
bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,4-dicarboxylate
CID 155075621

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl (Z)-hex-3-enoate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl (Z)-hex-3-enoate (CID 155075694) is 2-piperidin-4-ylpropan-2-yl (Z)-hex-3-enoate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl (Z)-hex-3-enoate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl (Z)-hex-3-enoate is CC/C=C\CC(=O)OC(C)(C)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl (Z)-hex-3-enoate?
The InChIKey is HZIZJJXSILTCCA-WAYWQWQTSA-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/h5-6,12,15H,4,7-11H2,1-3H3/b6-5-.
What are the key properties of 2-piperidin-4-ylpropan-2-yl (Z)-hex-3-enoate?
2-piperidin-4-ylpropan-2-yl (Z)-hex-3-enoate has a molecular weight of 239.36 g/mol, XLogP of 2.66, 5 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 (Z)-hex-3-enoate is sourced from PubChem (CID 155075694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).