(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone

C13H18N2O2 — CID 81427852

IUPAC(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN[C@H](C)C2)cc1
InChIInChI=1S/C13H18N2O2/c1-10-9-15(8-7-14-10)13(16)11-3-5-12(17-2)6-4-11/h3-6,10,14H,7-9H2,1-2H3/t10-/m1/s1
InChIKeyIRPFQZBRAVUSCK-SNVBAGLBSA-N
MW234.30 g/mol
LogP1.13
Rot. Bonds2

About (4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone

(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone (PubChem CID 81427852) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
PubChem CID81427852
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN[C@H](C)C2)cc1
InChIInChI=1S/C13H18N2O2/c1-10-9-15(8-7-14-10)13(16)11-3-5-12(17-2)6-4-11/h3-6,10,14H,7-9H2,1-2H3/t10-/m1/s1
InChIKeyIRPFQZBRAVUSCK-SNVBAGLBSA-N
XLogP1.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-methylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 104891401
methyl 4-(4-methoxybenzoyl)piperazine-2-carboxylate
CID 78454952
(3-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119579326
1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 119576231
(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428147
[5-(4-methoxyphenyl)-3-pyridinyl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620498
(4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426419
(6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 115353693
(3-fluoro-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 65418976
(2-iodo-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 119576725
2-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119577033
N-[4-(3-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119576157

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone (CID 81427852) is (4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN[C@H](C)C2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The InChIKey is IRPFQZBRAVUSCK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-9-15(8-7-14-10)13(16)11-3-5-12(17-2)6-4-11/h3-6,10,14H,7-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone has a molecular weight of 234.30 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 81427852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).