[4-(2-methylphenyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone

C21H24N2O — CID 122534294

IUPAC[4-(2-methylphenyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
SMILESCc1ccccc1N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C21H24N2O/c1-16-7-5-6-10-20(16)22-11-13-23(14-12-22)21(24)19-15-18(19)17-8-3-2-4-9-17/h2-10,18-19H,11-15H2,1H3/t18-,19-/m0/s1
InChIKeyVZSVJVAQPBGLNI-OALUTQOASA-N
MW320.44 g/mol
LogP3.45
Rot. Bonds3

About [4-(2-methylphenyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone

[4-(2-methylphenyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone (PubChem CID 122534294) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is [4-(2-methylphenyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone.

Molecular Properties

Compound Name[4-(2-methylphenyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
PubChem CID122534294
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name[4-(2-methylphenyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
SMILESCc1ccccc1N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C21H24N2O/c1-16-7-5-6-10-20(16)22-11-13-23(14-12-22)21(24)19-15-18(19)17-8-3-2-4-9-17/h2-10,18-19H,11-15H2,1H3/t18-,19-/m0/s1
InChIKeyVZSVJVAQPBGLNI-OALUTQOASA-N
XLogP3.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone?
The IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone (CID 122534294) is [4-(2-methylphenyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone.
What is the SMILES notation for [4-(2-methylphenyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone?
The canonical SMILES for [4-(2-methylphenyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone is Cc1ccccc1N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of [4-(2-methylphenyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone?
The InChIKey is VZSVJVAQPBGLNI-OALUTQOASA-N. The full InChI is InChI=1S/C21H24N2O/c1-16-7-5-6-10-20(16)22-11-13-23(14-12-22)21(24)19-15-18(19)17-8-3-2-4-9-17/h2-10,18-19H,11-15H2,1H3/t18-,19-/m0/s1.
What are the key properties of [4-(2-methylphenyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone?
[4-(2-methylphenyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone has a molecular weight of 320.44 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone is sourced from PubChem (CID 122534294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).