(3,5-dimethoxy-4-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride

C18H29ClN2O3 — CID 119648224

IUPAC(3,5-dimethoxy-4-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCCNCC1CCN(C(=O)c2cc(OC)c(C)c(OC)c2)CC1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-5-19-12-14-6-8-20(9-7-14)18(21)15-10-16(22-3)13(2)17(11-15)23-4;/h10-11,14,19H,5-9,12H2,1-4H3;1H
InChIKeyWOEXTMMEBURVKQ-UHFFFAOYSA-N
MW356.89 g/mol
LogP2.90
Rot. Bonds6

About (3,5-dimethoxy-4-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride

(3,5-dimethoxy-4-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119648224) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is (3,5-dimethoxy-4-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3,5-dimethoxy-4-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID119648224
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC Name(3,5-dimethoxy-4-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCCNCC1CCN(C(=O)c2cc(OC)c(C)c(OC)c2)CC1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-5-19-12-14-6-8-20(9-7-14)18(21)15-10-16(22-3)13(2)17(11-15)23-4;/h10-11,14,19H,5-9,12H2,1-4H3;1H
InChIKeyWOEXTMMEBURVKQ-UHFFFAOYSA-N
XLogP2.90
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646390
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 80550753
(4,5-dimethoxy-2-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647359
2-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2-methoxyphenoxy]acetamide;hydrochloride
CID 119644854
[4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone;hydrochloride
CID 119520804
[4-(ethylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 80550856
(3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119644683
5-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119647652
(4-bromo-3,5-dimethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119542621
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
(3,5-dimethoxy-4-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403756
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride
CID 119645414

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxy-4-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (3,5-dimethoxy-4-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride (CID 119648224) is (3,5-dimethoxy-4-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3,5-dimethoxy-4-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3,5-dimethoxy-4-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride is CCNCC1CCN(C(=O)c2cc(OC)c(C)c(OC)c2)CC1.Cl.
What is the InChIKey of (3,5-dimethoxy-4-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is WOEXTMMEBURVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-5-19-12-14-6-8-20(9-7-14)18(21)15-10-16(22-3)13(2)17(11-15)23-4;/h10-11,14,19H,5-9,12H2,1-4H3;1H.
What are the key properties of (3,5-dimethoxy-4-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
(3,5-dimethoxy-4-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 2.90, 6 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)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119648224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).