(3,5-dimethylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride

C16H25ClN2O4 — CID 119564338

IUPAC(3,5-dimethylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride
SMILESCOc1cc(C(=O)N2CC(C)NC(C)C2)cc(OC)c1OC.Cl
InChIInChI=1S/C16H24N2O4.ClH/c1-10-8-18(9-11(2)17-10)16(19)12-6-13(20-3)15(22-5)14(7-12)21-4;/h6-7,10-11,17H,8-9H2,1-5H3;1H
InChIKeyCBFBFVWJDHADDQ-UHFFFAOYSA-N
MW344.84 g/mol
LogP1.96
Rot. Bonds4

About (3,5-dimethylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride

(3,5-dimethylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride (PubChem CID 119564338) has the molecular formula C16H25ClN2O4 and a molecular weight of 344.84 g/mol. Its IUPAC name is (3,5-dimethylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(3,5-dimethylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride
PubChem CID119564338
Molecular FormulaC16H25ClN2O4
Molecular Weight344.84 g/mol
Exact Mass344.15
IUPAC Name(3,5-dimethylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride
SMILESCOc1cc(C(=O)N2CC(C)NC(C)C2)cc(OC)c1OC.Cl
InChIInChI=1S/C16H24N2O4.ClH/c1-10-8-18(9-11(2)17-10)16(19)12-6-13(20-3)15(22-5)14(7-12)21-4;/h6-7,10-11,17H,8-9H2,1-5H3;1H
InChIKeyCBFBFVWJDHADDQ-UHFFFAOYSA-N
XLogP1.96
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethoxy-4-methylphenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 119564733
(3,5-dimethylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119564732
(3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63874051
(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 71752843
(4-bromopiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 80656388
(4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110725274
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(3-methoxy-5-methylthiophen-2-yl)methanone
CID 124590377
[3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 81469626
(3,5-dimethoxy-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 119580704
(4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110708525
[(3R,5R)-3,5-dimethylpiperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 124590484
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride?
The IUPAC name of (3,5-dimethylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride (CID 119564338) is (3,5-dimethylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for (3,5-dimethylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride?
The canonical SMILES for (3,5-dimethylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride is COc1cc(C(=O)N2CC(C)NC(C)C2)cc(OC)c1OC.Cl.
What is the InChIKey of (3,5-dimethylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride?
The InChIKey is CBFBFVWJDHADDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4.ClH/c1-10-8-18(9-11(2)17-10)16(19)12-6-13(20-3)15(22-5)14(7-12)21-4;/h6-7,10-11,17H,8-9H2,1-5H3;1H.
What are the key properties of (3,5-dimethylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride?
(3,5-dimethylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride has a molecular weight of 344.84 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 119564338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).