2-piperidin-1-ylethyl 2,4-dimethoxybenzoate

C16H23NO4 — CID 838965

IUPAC2-piperidin-1-ylethyl 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCCN2CCCCC2)c(OC)c1
InChIInChI=1S/C16H23NO4/c1-19-13-6-7-14(15(12-13)20-2)16(18)21-11-10-17-8-4-3-5-9-17/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyISTPSWHXBOBMDQ-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.35
Rot. Bonds6

About 2-piperidin-1-ylethyl 2,4-dimethoxybenzoate

2-piperidin-1-ylethyl 2,4-dimethoxybenzoate (PubChem CID 838965) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 2,4-dimethoxybenzoate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 2,4-dimethoxybenzoate
PubChem CID838965
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-piperidin-1-ylethyl 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCCN2CCCCC2)c(OC)c1
InChIInChI=1S/C16H23NO4/c1-19-13-6-7-14(15(12-13)20-2)16(18)21-11-10-17-8-4-3-5-9-17/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyISTPSWHXBOBMDQ-UHFFFAOYSA-N
XLogP2.35
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22687707
3-hydroxypropyl 2,4-dimethoxybenzoate
CID 116863011
2-piperidin-1-ylethyl 4-butoxy-2-(2-piperidin-1-ylethyl)benzoate
CID 90023939
(2,4-dimethoxyphenyl)-piperidin-1-ylmethanethione
CID 15398722
4-(1,3-dioxoisoindol-2-yl)butyl 2,4-dimethoxybenzoate
CID 16523429
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 9203566
(2,4-dimethoxyphenyl)-pyrrolidin-1-ylmethanethione
CID 879066
2-piperidin-1-ylethyl 4-(6-aminohexylamino)-5-chloro-2-methoxybenzoate
CID 11026017
2-piperidin-1-ylethyl 2-hydroxybenzoate
CID 12633972
2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride
CID 13478099
1-[4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanone
CID 82886096
4-methoxy-2-(2-piperidin-1-ylethoxy)benzaldehyde
CID 22685969

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 2,4-dimethoxybenzoate?
The IUPAC name of 2-piperidin-1-ylethyl 2,4-dimethoxybenzoate (CID 838965) is 2-piperidin-1-ylethyl 2,4-dimethoxybenzoate.
What is the SMILES notation for 2-piperidin-1-ylethyl 2,4-dimethoxybenzoate?
The canonical SMILES for 2-piperidin-1-ylethyl 2,4-dimethoxybenzoate is COc1ccc(C(=O)OCCN2CCCCC2)c(OC)c1.
What is the InChIKey of 2-piperidin-1-ylethyl 2,4-dimethoxybenzoate?
The InChIKey is ISTPSWHXBOBMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-19-13-6-7-14(15(12-13)20-2)16(18)21-11-10-17-8-4-3-5-9-17/h6-7,12H,3-5,8-11H2,1-2H3.
What are the key properties of 2-piperidin-1-ylethyl 2,4-dimethoxybenzoate?
2-piperidin-1-ylethyl 2,4-dimethoxybenzoate has a molecular weight of 293.36 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 2,4-dimethoxybenzoate is sourced from PubChem (CID 838965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).