[(3R,5S)-3,5-dimethylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone

C15H22N2O2 — CID 124590225

IUPAC[(3R,5S)-3,5-dimethylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
SMILESCOCc1ccc(C(=O)N2C[C@@H](C)N[C@@H](C)C2)cc1
InChIInChI=1S/C15H22N2O2/c1-11-8-17(9-12(2)16-11)15(18)14-6-4-13(5-7-14)10-19-3/h4-7,11-12,16H,8-10H2,1-3H3/t11-,12+
InChIKeyCVBKQHNAFYWVCL-TXEJJXNPSA-N
MW262.35 g/mol
LogP1.66
Rot. Bonds3

About [(3R,5S)-3,5-dimethylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone

[(3R,5S)-3,5-dimethylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone (PubChem CID 124590225) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [(3R,5S)-3,5-dimethylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name[(3R,5S)-3,5-dimethylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
PubChem CID124590225
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[(3R,5S)-3,5-dimethylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
SMILESCOCc1ccc(C(=O)N2C[C@@H](C)N[C@@H](C)C2)cc1
InChIInChI=1S/C15H22N2O2/c1-11-8-17(9-12(2)16-11)15(18)14-6-4-13(5-7-14)10-19-3/h4-7,11-12,16H,8-10H2,1-3H3/t11-,12+
InChIKeyCVBKQHNAFYWVCL-TXEJJXNPSA-N
XLogP1.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 120656789
[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[4-fluoro-3-(methoxymethyl)phenyl]methanone
CID 124589244
(3,5-dimethylpiperazin-1-yl)-(4-iodophenyl)methanone
CID 63862421
(3,5-dimethylpiperazin-1-yl)-phenylmethanone
CID 10560788
[(3S)-3-hydroxypyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 79029485
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 124611915
2-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]sulfonylacetamide
CID 126454556
1-[[4-(3,5-dimethylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
CID 119564568
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 115746439
ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate
CID 9173331
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 124590097
[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546036

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3,5-dimethylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone?
The IUPAC name of [(3R,5S)-3,5-dimethylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone (CID 124590225) is [(3R,5S)-3,5-dimethylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone.
What is the SMILES notation for [(3R,5S)-3,5-dimethylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone?
The canonical SMILES for [(3R,5S)-3,5-dimethylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone is COCc1ccc(C(=O)N2C[C@@H](C)N[C@@H](C)C2)cc1.
What is the InChIKey of [(3R,5S)-3,5-dimethylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone?
The InChIKey is CVBKQHNAFYWVCL-TXEJJXNPSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-8-17(9-12(2)16-11)15(18)14-6-4-13(5-7-14)10-19-3/h4-7,11-12,16H,8-10H2,1-3H3/t11-,12+.
What are the key properties of [(3R,5S)-3,5-dimethylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone?
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone has a molecular weight of 262.35 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3,5-dimethylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone is sourced from PubChem (CID 124590225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).