(3,5-dimethoxy-4-methylphenyl)-piperazin-1-ylmethanone;hydrochloride

C14H21ClN2O3 — CID 119403756

IUPAC(3,5-dimethoxy-4-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
SMILESCOc1cc(C(=O)N2CCNCC2)cc(OC)c1C.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-10-12(18-2)8-11(9-13(10)19-3)14(17)16-6-4-15-5-7-16;/h8-9,15H,4-7H2,1-3H3;1H
InChIKeyRSFQDHQXJKEOAQ-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.48
Rot. Bonds3

About (3,5-dimethoxy-4-methylphenyl)-piperazin-1-ylmethanone;hydrochloride

(3,5-dimethoxy-4-methylphenyl)-piperazin-1-ylmethanone;hydrochloride (PubChem CID 119403756) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is (3,5-dimethoxy-4-methylphenyl)-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(3,5-dimethoxy-4-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
PubChem CID119403756
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name(3,5-dimethoxy-4-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
SMILESCOc1cc(C(=O)N2CCNCC2)cc(OC)c1C.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-10-12(18-2)8-11(9-13(10)19-3)14(17)16-6-4-15-5-7-16;/h8-9,15H,4-7H2,1-3H3;1H
InChIKeyRSFQDHQXJKEOAQ-UHFFFAOYSA-N
XLogP1.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethoxy-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 119580704
[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119403962
(3,5-dimethoxy-4-methylphenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 119564733
(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403665
(3-bromo-4-ethoxy-5-methoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400084
(3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone
CID 39260978
[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401216
(3,5-dimethoxy-4-methylphenyl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120823969
[4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone;hydrochloride
CID 119520804
(4-methoxy-2,5-dimethylphenyl)-piperazin-1-ylmethanone
CID 82131195
(3,5-dimethoxy-4-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119648224
(3,5-dimethoxy-4-methylphenyl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777604

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxy-4-methylphenyl)-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of (3,5-dimethoxy-4-methylphenyl)-piperazin-1-ylmethanone;hydrochloride (CID 119403756) is (3,5-dimethoxy-4-methylphenyl)-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for (3,5-dimethoxy-4-methylphenyl)-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for (3,5-dimethoxy-4-methylphenyl)-piperazin-1-ylmethanone;hydrochloride is COc1cc(C(=O)N2CCNCC2)cc(OC)c1C.Cl.
What is the InChIKey of (3,5-dimethoxy-4-methylphenyl)-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is RSFQDHQXJKEOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3.ClH/c1-10-12(18-2)8-11(9-13(10)19-3)14(17)16-6-4-15-5-7-16;/h8-9,15H,4-7H2,1-3H3;1H.
What are the key properties of (3,5-dimethoxy-4-methylphenyl)-piperazin-1-ylmethanone;hydrochloride?
(3,5-dimethoxy-4-methylphenyl)-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 1.48, 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)-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 119403756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).