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

C14H20N2O — CID 81426419

IUPAC(4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN[C@H](C)C2)cc1
InChIInChI=1S/C14H20N2O/c1-3-12-4-6-13(7-5-12)14(17)16-9-8-15-11(2)10-16/h4-7,11,15H,3,8-10H2,1-2H3/t11-/m1/s1
InChIKeyREKGMACIKWFEBE-LLVKDONJSA-N
MW232.33 g/mol
LogP1.68
Rot. Bonds2

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

(4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone (PubChem CID 81426419) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
PubChem CID81426419
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN[C@H](C)C2)cc1
InChIInChI=1S/C14H20N2O/c1-3-12-4-6-13(7-5-12)14(17)16-9-8-15-11(2)10-16/h4-7,11,15H,3,8-10H2,1-2H3/t11-/m1/s1
InChIKeyREKGMACIKWFEBE-LLVKDONJSA-N
XLogP1.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 119576231
[(3R)-3-methylpiperazin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 124695746
(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427852
3-[[4-(3-methylpiperazine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
CID 119576948
2-(4-ethylphenyl)-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119578542
[4-(4-ethylpiperazin-1-yl)phenyl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124684035
[(3R)-3-methylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 104891401
[4-[(4-methylphenyl)sulfonylmethyl]phenyl]-(3-methylpiperazin-1-yl)methanone
CID 119576498
N-[4-(3-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119576157
(3-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119579326
[(3S)-3-methylpiperazin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124693440
2-(4-ethylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119576796

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone (CID 81426419) is (4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone is CCc1ccc(C(=O)N2CCN[C@H](C)C2)cc1.
What is the InChIKey of (4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The InChIKey is REKGMACIKWFEBE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-12-4-6-13(7-5-12)14(17)16-9-8-15-11(2)10-16/h4-7,11,15H,3,8-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
(4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone has a molecular weight of 232.33 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 81426419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).