(3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride

C15H23ClN2O3 — CID 119400534

IUPAC(3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
SMILESCCOc1ccc(C(=O)N2CCNCC2)cc1OCC.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-3-19-13-6-5-12(11-14(13)20-4-2)15(18)17-9-7-16-8-10-17;/h5-6,11,16H,3-4,7-10H2,1-2H3;1H
InChIKeyWYGGBCOMZAERKK-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.95
Rot. Bonds5

About (3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride

(3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride (PubChem CID 119400534) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
PubChem CID119400534
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name(3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
SMILESCCOc1ccc(C(=O)N2CCNCC2)cc1OCC.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-3-19-13-6-5-12(11-14(13)20-4-2)15(18)17-9-7-16-8-10-17;/h5-6,11,16H,3-4,7-10H2,1-2H3;1H
InChIKeyWYGGBCOMZAERKK-UHFFFAOYSA-N
XLogP1.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone
CID 39260978
1,4-diazepan-1-yl-(4-ethoxy-3-methoxyphenyl)methanone
CID 119415903
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
(3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560243
1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide
CID 976244
1,4-diazepan-1-yl-(4-ethoxyphenyl)methanone;hydrochloride
CID 119417655
1-(3,4-diethoxybenzoyl)piperidine-4-carboxylic acid
CID 16771876
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
(3,4-diethoxyphenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19323344
(3,4-diethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999371
(3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone
CID 95970604
(3,4-diethoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348611

Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of (3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride (CID 119400534) is (3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for (3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for (3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride is CCOc1ccc(C(=O)N2CCNCC2)cc1OCC.Cl.
What is the InChIKey of (3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is WYGGBCOMZAERKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-3-19-13-6-5-12(11-14(13)20-4-2)15(18)17-9-7-16-8-10-17;/h5-6,11,16H,3-4,7-10H2,1-2H3;1H.
What are the key properties of (3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride?
(3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 119400534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).