2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1-chloro-2-ethylbenzene

C20H31ClN2O4 — CID 19776566

IUPAC2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1-chloro-2-ethylbenzene
SMILESCC(=O)OCCN1CCN(CCOC(C)=O)CC1.CCc1ccccc1Cl
InChIInChI=1S/C12H22N2O4.C8H9Cl/c1-11(15)17-9-7-13-3-5-14(6-4-13)8-10-18-12(2)16;1-2-7-5-3-4-6-8(7)9/h3-10H2,1-2H3;3-6H,2H2,1H3
InChIKeyZMXZZGNZCQDWEH-UHFFFAOYSA-N
MW398.93 g/mol
LogP2.63
Rot. Bonds7

About 2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1-chloro-2-ethylbenzene

2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1-chloro-2-ethylbenzene (PubChem CID 19776566) has the molecular formula C20H31ClN2O4 and a molecular weight of 398.93 g/mol. Its IUPAC name is 2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1-chloro-2-ethylbenzene.

Molecular Properties

Compound Name2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1-chloro-2-ethylbenzene
PubChem CID19776566
Molecular FormulaC20H31ClN2O4
Molecular Weight398.93 g/mol
Exact Mass398.20
IUPAC Name2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1-chloro-2-ethylbenzene
SMILESCC(=O)OCCN1CCN(CCOC(C)=O)CC1.CCc1ccccc1Cl
InChIInChI=1S/C12H22N2O4.C8H9Cl/c1-11(15)17-9-7-13-3-5-14(6-4-13)8-10-18-12(2)16;1-2-7-5-3-4-6-8(7)9/h3-10H2,1-2H3;3-6H,2H2,1H3
InChIKeyZMXZZGNZCQDWEH-UHFFFAOYSA-N
XLogP2.63
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.93
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1-chloro-4-ethylbenzene
CID 19776556
2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1-chloro-4-ethylbenzene;dihydrochloride
CID 19776582
2-(4-benzhydrylpiperazin-1-yl)ethyl acetate
CID 57189910
N-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104911
2-[4-[2-(2-chlorophenyl)butanoyl]piperazin-1-yl]ethyl 2-(2-chlorophenyl)butanoate
CID 19776548
2-piperidin-1-ylethyl 2-chlorobenzoate;hydrochloride
CID 6602660
2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;4-ethyl-1,2-dimethoxybenzene;dihydrochloride
CID 19776581
2-[4-(pyridine-2-carbonyl)piperidin-1-yl]ethyl acetate
CID 174725091
2-(4-methylpiperazin-1-yl)ethyl 2-amino-3-chlorobenzoate
CID 82892124
2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]ethyl acetate
CID 3040911
[2-(methylamino)-2-oxoethyl] 4-[2-(2-chlorophenyl)ethyl]piperazine-1-carboxylate
CID 174508294
1-chloro-2-ethylbenzene;dihydroxy(oxo)phosphanium
CID 70452209

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1-chloro-2-ethylbenzene?
The IUPAC name of 2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1-chloro-2-ethylbenzene (CID 19776566) is 2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1-chloro-2-ethylbenzene.
What is the SMILES notation for 2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1-chloro-2-ethylbenzene?
The canonical SMILES for 2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1-chloro-2-ethylbenzene is CC(=O)OCCN1CCN(CCOC(C)=O)CC1.CCc1ccccc1Cl.
What is the InChIKey of 2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1-chloro-2-ethylbenzene?
The InChIKey is ZMXZZGNZCQDWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4.C8H9Cl/c1-11(15)17-9-7-13-3-5-14(6-4-13)8-10-18-12(2)16;1-2-7-5-3-4-6-8(7)9/h3-10H2,1-2H3;3-6H,2H2,1H3.
What are the key properties of 2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1-chloro-2-ethylbenzene?
2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1-chloro-2-ethylbenzene has a molecular weight of 398.93 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1-chloro-2-ethylbenzene is sourced from PubChem (CID 19776566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).