(3,4-dipropoxyphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride

C18H29ClN2O3 — CID 119472994

IUPAC(3,4-dipropoxyphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCCCOc1ccc(C(=O)N2CCNCC2C)cc1OCCC.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-4-10-22-16-7-6-15(12-17(16)23-11-5-2)18(21)20-9-8-19-13-14(20)3;/h6-7,12,14,19H,4-5,8-11,13H2,1-3H3;1H
InChIKeyYUIJWKVTSXTKIJ-UHFFFAOYSA-N
MW356.89 g/mol
LogP3.12
Rot. Bonds7

About (3,4-dipropoxyphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride

(3,4-dipropoxyphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119472994) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is (3,4-dipropoxyphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3,4-dipropoxyphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119472994
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC Name(3,4-dipropoxyphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCCCOc1ccc(C(=O)N2CCNCC2C)cc1OCCC.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-4-10-22-16-7-6-15(12-17(16)23-11-5-2)18(21)20-9-8-19-13-14(20)3;/h6-7,12,14,19H,4-5,8-11,13H2,1-3H3;1H
InChIKeyYUIJWKVTSXTKIJ-UHFFFAOYSA-N
XLogP3.12
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethoxy-3-nitrophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471629
(3,4-dipropoxyphenyl)-[(3S)-3-methylmorpholin-4-yl]methanone
CID 51938117
(4-fluoro-3-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82756256
(3-bromo-4-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705366
(3-bromo-4-methoxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705661
(3,4-dipropoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996428
(4-ethylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705638
(3,4-dipropoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996429
[4-[2-(diethylamino)ethoxy]phenyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119473075
1-(2-methylpiperazin-1-yl)-2-(4-propoxyphenoxy)ethanone;hydrochloride
CID 119470131
(3-methoxy-4-nitrophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 103866782
(3-methoxy-4-nitrophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 103866731

Frequently Asked Questions

What is the IUPAC name of (3,4-dipropoxyphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (3,4-dipropoxyphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride (CID 119472994) is (3,4-dipropoxyphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3,4-dipropoxyphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (3,4-dipropoxyphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride is CCCOc1ccc(C(=O)N2CCNCC2C)cc1OCCC.Cl.
What is the InChIKey of (3,4-dipropoxyphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is YUIJWKVTSXTKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-4-10-22-16-7-6-15(12-17(16)23-11-5-2)18(21)20-9-8-19-13-14(20)3;/h6-7,12,14,19H,4-5,8-11,13H2,1-3H3;1H.
What are the key properties of (3,4-dipropoxyphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
(3,4-dipropoxyphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dipropoxyphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119472994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).