(2,3-dimethoxyphenyl)-(2-methylpiperazin-1-yl)methanone

C14H20N2O3 — CID 62672070

IUPAC(2,3-dimethoxyphenyl)-(2-methylpiperazin-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCNCC2C)c1OC
InChIInChI=1S/C14H20N2O3/c1-10-9-15-7-8-16(10)14(17)11-5-4-6-12(18-2)13(11)19-3/h4-6,10,15H,7-9H2,1-3H3
InChIKeyWVDNHFAAQBWEKO-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.14
Rot. Bonds3

About (2,3-dimethoxyphenyl)-(2-methylpiperazin-1-yl)methanone

(2,3-dimethoxyphenyl)-(2-methylpiperazin-1-yl)methanone (PubChem CID 62672070) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-(2-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-(2-methylpiperazin-1-yl)methanone
PubChem CID62672070
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2,3-dimethoxyphenyl)-(2-methylpiperazin-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCNCC2C)c1OC
InChIInChI=1S/C14H20N2O3/c1-10-9-15-7-8-16(10)14(17)11-5-4-6-12(18-2)13(11)19-3/h4-6,10,15H,7-9H2,1-3H3
InChIKeyWVDNHFAAQBWEKO-UHFFFAOYSA-N
XLogP1.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82755447
(2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82704622
(3-chloro-2-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82755442
(3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 51000391
(2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 107690427
(2-hydroxy-4-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82755155
(2-methoxyphenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 95001107
(2-methoxyphenyl)-(2-propan-2-ylpiperazin-1-yl)methanone
CID 82246394
1-(2,3-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 24699096
[5-[4-(2-aminoethyl)phenoxy]-2,3,4-trimethoxyphenyl]-[(2R)-2-methylpiperazin-1-yl]methanone
CID 172658198
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 115491792
2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 71639484

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-(2-methylpiperazin-1-yl)methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-(2-methylpiperazin-1-yl)methanone (CID 62672070) is (2,3-dimethoxyphenyl)-(2-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-(2-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-(2-methylpiperazin-1-yl)methanone is COc1cccc(C(=O)N2CCNCC2C)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-(2-methylpiperazin-1-yl)methanone?
The InChIKey is WVDNHFAAQBWEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-9-15-7-8-16(10)14(17)11-5-4-6-12(18-2)13(11)19-3/h4-6,10,15H,7-9H2,1-3H3.
What are the key properties of (2,3-dimethoxyphenyl)-(2-methylpiperazin-1-yl)methanone?
(2,3-dimethoxyphenyl)-(2-methylpiperazin-1-yl)methanone has a molecular weight of 264.32 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-(2-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 62672070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).