2-[1-[4-(dimethylamino)phenyl]ethenoxy]ethyl 3-piperidin-1-ylpropanoate

C20H30N2O3 — CID 89038552

IUPAC2-[1-[4-(dimethylamino)phenyl]ethenoxy]ethyl 3-piperidin-1-ylpropanoate
SMILESC=C(OCCOC(=O)CCN1CCCCC1)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H30N2O3/c1-17(18-7-9-19(10-8-18)21(2)3)24-15-16-25-20(23)11-14-22-12-5-4-6-13-22/h7-10H,1,4-6,11-16H2,2-3H3
InChIKeyBOSSQYLXTCZXJK-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.16
Rot. Bonds9

About 2-[1-[4-(dimethylamino)phenyl]ethenoxy]ethyl 3-piperidin-1-ylpropanoate

2-[1-[4-(dimethylamino)phenyl]ethenoxy]ethyl 3-piperidin-1-ylpropanoate (PubChem CID 89038552) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-[1-[4-(dimethylamino)phenyl]ethenoxy]ethyl 3-piperidin-1-ylpropanoate.

Molecular Properties

Compound Name2-[1-[4-(dimethylamino)phenyl]ethenoxy]ethyl 3-piperidin-1-ylpropanoate
PubChem CID89038552
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-[1-[4-(dimethylamino)phenyl]ethenoxy]ethyl 3-piperidin-1-ylpropanoate
SMILESC=C(OCCOC(=O)CCN1CCCCC1)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H30N2O3/c1-17(18-7-9-19(10-8-18)21(2)3)24-15-16-25-20(23)11-14-22-12-5-4-6-13-22/h7-10H,1,4-6,11-16H2,2-3H3
InChIKeyBOSSQYLXTCZXJK-UHFFFAOYSA-N
XLogP3.16
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-piperidin-1-ylethyl 4-(dimethylamino)benzoate
CID 58027720
2-(dimethylamino)ethyl 3-pyrrolidin-1-ylpropanoate
CID 131853117
1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110666244
4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide
CID 110444431
bis(2-piperidin-1-ylethyl) butanedioate
CID 71369193
dodecyl 3-piperidin-1-ylpropanoate
CID 91554899
2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate
CID 12811915
2-[3-[2-(dimethylamino)ethyl-methylamino]propanoyloxy]ethyl 4-(dimethylamino)benzoate
CID 58027721
[4-(2-aminoethyl)-1,4-diazepan-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 43251681
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576
1-[4-(dimethylamino)phenyl]-2-[2-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanone
CID 67543074
ethyl 3-[4-[3-(azepan-1-yl)propoxy]phenyl]propanoate
CID 67547983

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(dimethylamino)phenyl]ethenoxy]ethyl 3-piperidin-1-ylpropanoate?
The IUPAC name of 2-[1-[4-(dimethylamino)phenyl]ethenoxy]ethyl 3-piperidin-1-ylpropanoate (CID 89038552) is 2-[1-[4-(dimethylamino)phenyl]ethenoxy]ethyl 3-piperidin-1-ylpropanoate.
What is the SMILES notation for 2-[1-[4-(dimethylamino)phenyl]ethenoxy]ethyl 3-piperidin-1-ylpropanoate?
The canonical SMILES for 2-[1-[4-(dimethylamino)phenyl]ethenoxy]ethyl 3-piperidin-1-ylpropanoate is C=C(OCCOC(=O)CCN1CCCCC1)c1ccc(N(C)C)cc1.
What is the InChIKey of 2-[1-[4-(dimethylamino)phenyl]ethenoxy]ethyl 3-piperidin-1-ylpropanoate?
The InChIKey is BOSSQYLXTCZXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-17(18-7-9-19(10-8-18)21(2)3)24-15-16-25-20(23)11-14-22-12-5-4-6-13-22/h7-10H,1,4-6,11-16H2,2-3H3.
What are the key properties of 2-[1-[4-(dimethylamino)phenyl]ethenoxy]ethyl 3-piperidin-1-ylpropanoate?
2-[1-[4-(dimethylamino)phenyl]ethenoxy]ethyl 3-piperidin-1-ylpropanoate has a molecular weight of 346.47 g/mol, XLogP of 3.16, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(dimethylamino)phenyl]ethenoxy]ethyl 3-piperidin-1-ylpropanoate is sourced from PubChem (CID 89038552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).