2-piperidin-1-ylethyl 4-prop-2-enoxybenzoate

C17H23NO3 — CID 2294860

IUPAC2-piperidin-1-ylethyl 4-prop-2-enoxybenzoate
SMILESC=CCOc1ccc(C(=O)OCCN2CCCCC2)cc1
InChIInChI=1S/C17H23NO3/c1-2-13-20-16-8-6-15(7-9-16)17(19)21-14-12-18-10-4-3-5-11-18/h2,6-9H,1,3-5,10-14H2
InChIKeyOKAYARSPOUDTCC-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.89
Rot. Bonds7

About 2-piperidin-1-ylethyl 4-prop-2-enoxybenzoate

2-piperidin-1-ylethyl 4-prop-2-enoxybenzoate (PubChem CID 2294860) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 4-prop-2-enoxybenzoate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 4-prop-2-enoxybenzoate
PubChem CID2294860
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-piperidin-1-ylethyl 4-prop-2-enoxybenzoate
SMILESC=CCOc1ccc(C(=O)OCCN2CCCCC2)cc1
InChIInChI=1S/C17H23NO3/c1-2-13-20-16-8-6-15(7-9-16)17(19)21-14-12-18-10-4-3-5-11-18/h2,6-9H,1,3-5,10-14H2
InChIKeyOKAYARSPOUDTCC-UHFFFAOYSA-N
XLogP2.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-1-ylethyl 4-(2-methylpropoxy)benzoate
CID 3518904
2-piperidin-1-ylethyl 4-fluorobenzoate
CID 755786
2-piperidin-1-ylethyl 4-bromobenzoate
CID 755742
2-pyrrolidin-1-ylethyl 4-aminobenzoate
CID 10243125
1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-en-1-one
CID 140994444
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
2-piperidin-1-ylethyl 4-(dimethylamino)benzoate
CID 58027720
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
(4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate
CID 70257888

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 4-prop-2-enoxybenzoate?
The IUPAC name of 2-piperidin-1-ylethyl 4-prop-2-enoxybenzoate (CID 2294860) is 2-piperidin-1-ylethyl 4-prop-2-enoxybenzoate.
What is the SMILES notation for 2-piperidin-1-ylethyl 4-prop-2-enoxybenzoate?
The canonical SMILES for 2-piperidin-1-ylethyl 4-prop-2-enoxybenzoate is C=CCOc1ccc(C(=O)OCCN2CCCCC2)cc1.
What is the InChIKey of 2-piperidin-1-ylethyl 4-prop-2-enoxybenzoate?
The InChIKey is OKAYARSPOUDTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-13-20-16-8-6-15(7-9-16)17(19)21-14-12-18-10-4-3-5-11-18/h2,6-9H,1,3-5,10-14H2.
What are the key properties of 2-piperidin-1-ylethyl 4-prop-2-enoxybenzoate?
2-piperidin-1-ylethyl 4-prop-2-enoxybenzoate has a molecular weight of 289.38 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 4-prop-2-enoxybenzoate is sourced from PubChem (CID 2294860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).