2-piperidin-1-ylethyl 4-(dimethylamino)benzoate

C16H24N2O2 — CID 58027720

IUPAC2-piperidin-1-ylethyl 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OCCN2CCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-17(2)15-8-6-14(7-9-15)16(19)20-13-12-18-10-4-3-5-11-18/h6-9H,3-5,10-13H2,1-2H3
InChIKeyLXJOUQRAMCPCII-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.40
Rot. Bonds5

About 2-piperidin-1-ylethyl 4-(dimethylamino)benzoate

2-piperidin-1-ylethyl 4-(dimethylamino)benzoate (PubChem CID 58027720) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 4-(dimethylamino)benzoate
PubChem CID58027720
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-piperidin-1-ylethyl 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OCCN2CCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-17(2)15-8-6-14(7-9-15)16(19)20-13-12-18-10-4-3-5-11-18/h6-9H,3-5,10-13H2,1-2H3
InChIKeyLXJOUQRAMCPCII-UHFFFAOYSA-N
XLogP2.40
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-1-ylethyl 4-fluorobenzoate
CID 755786
2-piperidin-1-ylethyl 4-bromobenzoate
CID 755742
2-pyrrolidin-1-ylethyl 4-aminobenzoate
CID 10243125
2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate
CID 12811915
2-piperidin-1-ylethyl 4-(2-methylpropoxy)benzoate
CID 3518904
2-[1-[4-(dimethylamino)phenyl]ethenoxy]ethyl 3-piperidin-1-ylpropanoate
CID 89038552
2-piperidin-1-ylethyl 4-prop-2-enoxybenzoate
CID 2294860
ethyl 4-(2-piperidin-1-ylethoxycarbonylamino)benzoate
CID 23276159
4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide
CID 110444431
2-pyrrolidin-1-ylethyl 4-(1-methyltetrazol-5-yl)benzoate
CID 23540946
CID 70858409
CID 70858409
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-(dimethylamino)benzoate
CID 174814731

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 4-(dimethylamino)benzoate?
The IUPAC name of 2-piperidin-1-ylethyl 4-(dimethylamino)benzoate (CID 58027720) is 2-piperidin-1-ylethyl 4-(dimethylamino)benzoate.
What is the SMILES notation for 2-piperidin-1-ylethyl 4-(dimethylamino)benzoate?
The canonical SMILES for 2-piperidin-1-ylethyl 4-(dimethylamino)benzoate is CN(C)c1ccc(C(=O)OCCN2CCCCC2)cc1.
What is the InChIKey of 2-piperidin-1-ylethyl 4-(dimethylamino)benzoate?
The InChIKey is LXJOUQRAMCPCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-17(2)15-8-6-14(7-9-15)16(19)20-13-12-18-10-4-3-5-11-18/h6-9H,3-5,10-13H2,1-2H3.
What are the key properties of 2-piperidin-1-ylethyl 4-(dimethylamino)benzoate?
2-piperidin-1-ylethyl 4-(dimethylamino)benzoate has a molecular weight of 276.38 g/mol, XLogP of 2.40, 5 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-(dimethylamino)benzoate is sourced from PubChem (CID 58027720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).