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

C16H25ClN2O3 — CID 119564733

IUPAC(3,5-dimethoxy-4-methylphenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
SMILESCOc1cc(C(=O)N2CC(C)NC(C)C2)cc(OC)c1C.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-10-8-18(9-11(2)17-10)16(19)13-6-14(20-4)12(3)15(7-13)21-5;/h6-7,10-11,17H,8-9H2,1-5H3;1H
InChIKeyPCKZZQALNOPGIN-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.26
Rot. Bonds3

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

(3,5-dimethoxy-4-methylphenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119564733) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is (3,5-dimethoxy-4-methylphenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3,5-dimethoxy-4-methylphenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119564733
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name(3,5-dimethoxy-4-methylphenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
SMILESCOc1cc(C(=O)N2CC(C)NC(C)C2)cc(OC)c1C.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-10-8-18(9-11(2)17-10)16(19)13-6-14(20-4)12(3)15(7-13)21-5;/h6-7,10-11,17H,8-9H2,1-5H3;1H
InChIKeyPCKZZQALNOPGIN-UHFFFAOYSA-N
XLogP2.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride
CID 119564338
(3,5-dimethoxy-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 119580704
(3,5-dimethoxy-4-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403756
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(3-methoxy-5-methylthiophen-2-yl)methanone
CID 124590377
(3,5-dimethylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119564732
(3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63874051
(3,5-dimethoxy-4-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493630
[(3R,5R)-3,5-dimethylpiperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 124590484
1-[5-(3,5-dimethylpiperazine-1-carbonyl)-2-methoxyphenyl]imidazolidin-2-one
CID 122147915
[4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone;hydrochloride
CID 119520804
(3,5-dimethylpiperazin-1-yl)-phenylmethanone
CID 10560788
(3,5-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone;hydrochloride
CID 119564307

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxy-4-methylphenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (3,5-dimethoxy-4-methylphenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride (CID 119564733) is (3,5-dimethoxy-4-methylphenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3,5-dimethoxy-4-methylphenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (3,5-dimethoxy-4-methylphenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride is COc1cc(C(=O)N2CC(C)NC(C)C2)cc(OC)c1C.Cl.
What is the InChIKey of (3,5-dimethoxy-4-methylphenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is PCKZZQALNOPGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-10-8-18(9-11(2)17-10)16(19)13-6-14(20-4)12(3)15(7-13)21-5;/h6-7,10-11,17H,8-9H2,1-5H3;1H.
What are the key properties of (3,5-dimethoxy-4-methylphenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride?
(3,5-dimethoxy-4-methylphenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxy-4-methylphenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119564733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).