(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C15H22N2O4 — CID 21209978

IUPAC(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(CCO)CC2)cc1OC
InChIInChI=1S/C15H22N2O4/c1-20-13-4-3-12(11-14(13)21-2)15(19)17-7-5-16(6-8-17)9-10-18/h3-4,11,18H,5-10H2,1-2H3
InChIKeyPKDPHUMINQLYJX-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.45
Rot. Bonds5

About (3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 21209978) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID21209978
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(CCO)CC2)cc1OC
InChIInChI=1S/C15H22N2O4/c1-20-13-4-3-12(11-14(13)21-2)15(19)17-7-5-16(6-8-17)9-10-18/h3-4,11,18H,5-10H2,1-2H3
InChIKeyPKDPHUMINQLYJX-UHFFFAOYSA-N
XLogP0.45
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-3-methoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 90104243
(3,4-dimethoxyphenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone
CID 113073794
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
[4-(2-cyclohexylethyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 168948500
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 21275342
[3-[4-(aminomethyl)-2-fluorophenoxy]-4-methoxyphenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone;dihydrochloride
CID 154920973
(3,4-dimethoxyphenyl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571415
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485
(3,4-dimethoxyphenyl)-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]methanone
CID 32577025
(3,4-dimethoxyphenyl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 110412036
(3,4-dimethoxyphenyl)-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]methanone
CID 1015165

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 21209978) is (3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(CCO)CC2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is PKDPHUMINQLYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-20-13-4-3-12(11-14(13)21-2)15(19)17-7-5-16(6-8-17)9-10-18/h3-4,11,18H,5-10H2,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 294.35 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 21209978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).