[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone

C16H22N2O2 — CID 100836872

IUPAC[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCN1CCN(C(=O)[C@H]2CCCO2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C16H22N2O2/c1-17-9-10-18(16(19)15-8-5-11-20-15)14(12-17)13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3/t14-,15-/m1/s1
InChIKeyULEAUPJUKAQENY-HUUCEWRRSA-N
MW274.36 g/mol
LogP1.68
Rot. Bonds2

About [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone

[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 100836872) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID100836872
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCN1CCN(C(=O)[C@H]2CCCO2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C16H22N2O2/c1-17-9-10-18(16(19)15-8-5-11-20-15)14(12-17)13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3/t14-,15-/m1/s1
InChIKeyULEAUPJUKAQENY-HUUCEWRRSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 34230461
(4-methyl-2-phenylpiperazin-1-yl)-(oxan-4-yl)methanone
CID 51251992
1-[(2R)-oxolane-2-carbonyl]-2-phenylpiperidin-4-one
CID 126833195
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
[(2R)-2,4-dimethylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 170205931
[(2R)-4-methyl-2-phenylpiperazin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 51673103
(3-methyl-2-phenylmorpholin-4-yl)-(oxolan-2-yl)methanone
CID 110728429
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
(4-methyl-2-phenylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 115578734
[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]-[(2R)-oxolan-2-yl]methanone
CID 124711560
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 80505057
1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-4-phenylbutane-1,4-dione
CID 51926961

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone (CID 100836872) is [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone is CN1CCN(C(=O)[C@H]2CCCO2)[C@@H](c2ccccc2)C1.
What is the InChIKey of [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is ULEAUPJUKAQENY-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-17-9-10-18(16(19)15-8-5-11-20-15)14(12-17)13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3/t14-,15-/m1/s1.
What are the key properties of [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 274.36 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 100836872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).