[(2R)-4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone

C16H21FN2O2 — CID 99830247

IUPAC[(2R)-4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
SMILESC[C@@H]1CN(c2ccccc2F)CCN1C(=O)[C@@H]1CCOC1
InChIInChI=1S/C16H21FN2O2/c1-12-10-18(15-5-3-2-4-14(15)17)7-8-19(12)16(20)13-6-9-21-11-13/h2-5,12-13H,6-11H2,1H3/t12-,13-/m1/s1
InChIKeyAMUIKGRFNLAEFX-CHWSQXEVSA-N
MW292.35 g/mol
LogP1.90
Rot. Bonds2

About [(2R)-4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone

[(2R)-4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone (PubChem CID 99830247) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is [(2R)-4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone.

Molecular Properties

Compound Name[(2R)-4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
PubChem CID99830247
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name[(2R)-4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
SMILESC[C@@H]1CN(c2ccccc2F)CCN1C(=O)[C@@H]1CCOC1
InChIInChI=1S/C16H21FN2O2/c1-12-10-18(15-5-3-2-4-14(15)17)7-8-19(12)16(20)13-6-9-21-11-13/h2-5,12-13H,6-11H2,1H3/t12-,13-/m1/s1
InChIKeyAMUIKGRFNLAEFX-CHWSQXEVSA-N
XLogP1.90
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(oxolan-3-yl)ethanone
CID 104750092
(2-methyl-4-phenylpiperidin-1-yl)-(oxolan-3-yl)methanone
CID 122139809
(3-cyclopropyl-1-methylpyrazol-4-yl)-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]methanone
CID 126806453
[(3S)-3-methylmorpholin-4-yl]-(oxolan-3-yl)methanone
CID 130180210
[2-fluoro-3-[(3S)-3-methyl-4-(oxane-4-carbonyl)piperazin-1-yl]phenyl]methyl 3-amino-3-iminopropanoate
CID 157280624
(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(oxolan-3-yl)methanone
CID 71987117
(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-(oxolan-3-yl)methanone
CID 75921285
[4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-morpholin-3-yl]methanone
CID 124513191
N-[3-[(2S)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]acetamide
CID 124846255
N-(4-carbamoyl-3-fluorophenyl)-4-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide
CID 119046286
[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-(6-methoxypyrimidin-4-yl)methanone
CID 136564992
5-[4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]-4-methoxy-1H-pyridin-2-one
CID 136564991

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The IUPAC name of [(2R)-4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone (CID 99830247) is [(2R)-4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone.
What is the SMILES notation for [(2R)-4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The canonical SMILES for [(2R)-4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone is C[C@@H]1CN(c2ccccc2F)CCN1C(=O)[C@@H]1CCOC1.
What is the InChIKey of [(2R)-4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The InChIKey is AMUIKGRFNLAEFX-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-12-10-18(15-5-3-2-4-14(15)17)7-8-19(12)16(20)13-6-9-21-11-13/h2-5,12-13H,6-11H2,1H3/t12-,13-/m1/s1.
What are the key properties of [(2R)-4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone?
[(2R)-4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone has a molecular weight of 292.35 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone is sourced from PubChem (CID 99830247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).