[(1R,2R)-2-(2-methylphenyl)cyclopropyl]-[(3S)-3-methylpiperazin-1-yl]methanone

C16H22N2O — CID 124697762

IUPAC[(1R,2R)-2-(2-methylphenyl)cyclopropyl]-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCN[C@@H](C)C1
InChIInChI=1S/C16H22N2O/c1-11-5-3-4-6-13(11)14-9-15(14)16(19)18-8-7-17-12(2)10-18/h3-6,12,14-15,17H,7-10H2,1-2H3/t12-,14-,15+/m0/s1
InChIKeyGAPDQLJWCSOKMW-AEGPPILISA-N
MW258.36 g/mol
LogP1.92
Rot. Bonds2

About [(1R,2R)-2-(2-methylphenyl)cyclopropyl]-[(3S)-3-methylpiperazin-1-yl]methanone

[(1R,2R)-2-(2-methylphenyl)cyclopropyl]-[(3S)-3-methylpiperazin-1-yl]methanone (PubChem CID 124697762) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is [(1R,2R)-2-(2-methylphenyl)cyclopropyl]-[(3S)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2R)-2-(2-methylphenyl)cyclopropyl]-[(3S)-3-methylpiperazin-1-yl]methanone
PubChem CID124697762
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name[(1R,2R)-2-(2-methylphenyl)cyclopropyl]-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCN[C@@H](C)C1
InChIInChI=1S/C16H22N2O/c1-11-5-3-4-6-13(11)14-9-15(14)16(19)18-8-7-17-12(2)10-18/h3-6,12,14-15,17H,7-10H2,1-2H3/t12-,14-,15+/m0/s1
InChIKeyGAPDQLJWCSOKMW-AEGPPILISA-N
XLogP1.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(2-methylphenyl)cyclopropyl]-[(3S)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of [(1R,2R)-2-(2-methylphenyl)cyclopropyl]-[(3S)-3-methylpiperazin-1-yl]methanone (CID 124697762) is [(1R,2R)-2-(2-methylphenyl)cyclopropyl]-[(3S)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for [(1R,2R)-2-(2-methylphenyl)cyclopropyl]-[(3S)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for [(1R,2R)-2-(2-methylphenyl)cyclopropyl]-[(3S)-3-methylpiperazin-1-yl]methanone is Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCN[C@@H](C)C1.
What is the InChIKey of [(1R,2R)-2-(2-methylphenyl)cyclopropyl]-[(3S)-3-methylpiperazin-1-yl]methanone?
The InChIKey is GAPDQLJWCSOKMW-AEGPPILISA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-5-3-4-6-13(11)14-9-15(14)16(19)18-8-7-17-12(2)10-18/h3-6,12,14-15,17H,7-10H2,1-2H3/t12-,14-,15+/m0/s1.
What are the key properties of [(1R,2R)-2-(2-methylphenyl)cyclopropyl]-[(3S)-3-methylpiperazin-1-yl]methanone?
[(1R,2R)-2-(2-methylphenyl)cyclopropyl]-[(3S)-3-methylpiperazin-1-yl]methanone has a molecular weight of 258.36 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(2-methylphenyl)cyclopropyl]-[(3S)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 124697762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).