[4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

C16H22N2O2 — CID 27233042

IUPAC[4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C16H22N2O2/c1-13-5-2-3-6-14(13)17-8-10-18(11-9-17)16(19)15-7-4-12-20-15/h2-3,5-6,15H,4,7-12H2,1H3/t15-/m0/s1
InChIKeyGSGVGPRDWYZBDU-HNNXBMFYSA-N
MW274.36 g/mol
LogP1.82
Rot. Bonds2

About [4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

[4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (PubChem CID 27233042) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
PubChem CID27233042
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C16H22N2O2/c1-13-5-2-3-6-14(13)17-8-10-18(11-9-17)16(19)15-7-4-12-20-15/h2-3,5-6,15H,4,7-12H2,1H3/t15-/m0/s1
InChIKeyGSGVGPRDWYZBDU-HNNXBMFYSA-N
XLogP1.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40572583
N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide
CID 113097478
oxolan-2-yl-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone
CID 113076272
2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 18111062
oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078894
[4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113080191
N-(2,6-dimethylphenyl)-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbothioamide
CID 27057320
[4-(4-hydroxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 47098482
1-[4-[4-(2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9152764
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51162607
[2-(2-methylphenyl)morpholin-4-yl]-(oxolan-2-yl)methanone
CID 110364459
oxolan-2-yl-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone
CID 110662200

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (CID 27233042) is [4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for [4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is Cc1ccccc1N1CCN(C(=O)[C@@H]2CCCO2)CC1.
What is the InChIKey of [4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The InChIKey is GSGVGPRDWYZBDU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13-5-2-3-6-14(13)17-8-10-18(11-9-17)16(19)15-7-4-12-20-15/h2-3,5-6,15H,4,7-12H2,1H3/t15-/m0/s1.
What are the key properties of [4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
[4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone has a molecular weight of 274.36 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 27233042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).