(2R)-1-[(2-fluorophenyl)methoxy]-3-(4-methylsulfonylpiperazin-1-yl)propan-2-ol

C15H23FN2O4S — CID 32973607

IUPAC(2R)-1-[(2-fluorophenyl)methoxy]-3-(4-methylsulfonylpiperazin-1-yl)propan-2-ol
SMILESCS(=O)(=O)N1CCN(C[C@@H](O)COCc2ccccc2F)CC1
InChIInChI=1S/C15H23FN2O4S/c1-23(20,21)18-8-6-17(7-9-18)10-14(19)12-22-11-13-4-2-3-5-15(13)16/h2-5,14,19H,6-12H2,1H3/t14-/m1/s1
InChIKeyLYQBEBIKUKUJDQ-CQSZACIVSA-N
MW346.42 g/mol
LogP0.28
Rot. Bonds7

About (2R)-1-[(2-fluorophenyl)methoxy]-3-(4-methylsulfonylpiperazin-1-yl)propan-2-ol

(2R)-1-[(2-fluorophenyl)methoxy]-3-(4-methylsulfonylpiperazin-1-yl)propan-2-ol (PubChem CID 32973607) has the molecular formula C15H23FN2O4S and a molecular weight of 346.42 g/mol. Its IUPAC name is (2R)-1-[(2-fluorophenyl)methoxy]-3-(4-methylsulfonylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2-fluorophenyl)methoxy]-3-(4-methylsulfonylpiperazin-1-yl)propan-2-ol
PubChem CID32973607
Molecular FormulaC15H23FN2O4S
Molecular Weight346.42 g/mol
Exact Mass346.14
IUPAC Name(2R)-1-[(2-fluorophenyl)methoxy]-3-(4-methylsulfonylpiperazin-1-yl)propan-2-ol
SMILESCS(=O)(=O)N1CCN(C[C@@H](O)COCc2ccccc2F)CC1
InChIInChI=1S/C15H23FN2O4S/c1-23(20,21)18-8-6-17(7-9-18)10-14(19)12-22-11-13-4-2-3-5-15(13)16/h2-5,14,19H,6-12H2,1H3/t14-/m1/s1
InChIKeyLYQBEBIKUKUJDQ-CQSZACIVSA-N
XLogP0.28
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 95352978
(2S)-1-[(2-fluorophenyl)methoxy]-3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 95352976
(2S)-1-[(2-fluorophenyl)methoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 2314434
1-[(2-fluorophenyl)methoxy]-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 55346214
(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 92752913
(2S)-1-[(2-fluorophenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1217435
1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-N-methylpiperidine-4-carboxamide
CID 134055072
N-ethyl-1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 110898076
1-[(2-fluorophenyl)methoxy]-3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-2-ol
CID 134033696
[4-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 55572387
1-[(2-fluorophenyl)methoxy]-3-(4-phenylmethoxypiperidin-1-yl)propan-2-ol
CID 86913317
(2S)-1-[(2-fluorophenyl)methoxy]-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-ol
CID 95311600

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-fluorophenyl)methoxy]-3-(4-methylsulfonylpiperazin-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-[(2-fluorophenyl)methoxy]-3-(4-methylsulfonylpiperazin-1-yl)propan-2-ol (CID 32973607) is (2R)-1-[(2-fluorophenyl)methoxy]-3-(4-methylsulfonylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-[(2-fluorophenyl)methoxy]-3-(4-methylsulfonylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-[(2-fluorophenyl)methoxy]-3-(4-methylsulfonylpiperazin-1-yl)propan-2-ol is CS(=O)(=O)N1CCN(C[C@@H](O)COCc2ccccc2F)CC1.
What is the InChIKey of (2R)-1-[(2-fluorophenyl)methoxy]-3-(4-methylsulfonylpiperazin-1-yl)propan-2-ol?
The InChIKey is LYQBEBIKUKUJDQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23FN2O4S/c1-23(20,21)18-8-6-17(7-9-18)10-14(19)12-22-11-13-4-2-3-5-15(13)16/h2-5,14,19H,6-12H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-1-[(2-fluorophenyl)methoxy]-3-(4-methylsulfonylpiperazin-1-yl)propan-2-ol?
(2R)-1-[(2-fluorophenyl)methoxy]-3-(4-methylsulfonylpiperazin-1-yl)propan-2-ol has a molecular weight of 346.42 g/mol, XLogP of 0.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-fluorophenyl)methoxy]-3-(4-methylsulfonylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 32973607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).