4-[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine

C18H28FN3O3S — CID 60500414

IUPAC4-[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)N2CCN(C(C)c3ccccc3F)CC2)CC(C)O1
InChIInChI=1S/C18H28FN3O3S/c1-14-12-22(13-15(2)25-14)26(23,24)21-10-8-20(9-11-21)16(3)17-6-4-5-7-18(17)19/h4-7,14-16H,8-13H2,1-3H3
InChIKeyHBWLGZQRYAQMFJ-UHFFFAOYSA-N
MW385.51 g/mol
LogP1.86
Rot. Bonds4

About 4-[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine

4-[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine (PubChem CID 60500414) has the molecular formula C18H28FN3O3S and a molecular weight of 385.51 g/mol. Its IUPAC name is 4-[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
PubChem CID60500414
Molecular FormulaC18H28FN3O3S
Molecular Weight385.51 g/mol
Exact Mass385.18
IUPAC Name4-[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)N2CCN(C(C)c3ccccc3F)CC2)CC(C)O1
InChIInChI=1S/C18H28FN3O3S/c1-14-12-22(13-15(2)25-14)26(23,24)21-10-8-20(9-11-21)16(3)17-6-4-5-7-18(17)19/h4-7,14-16H,8-13H2,1-3H3
InChIKeyHBWLGZQRYAQMFJ-UHFFFAOYSA-N
XLogP1.86
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-4-[4-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]sulfonylmorpholine
CID 55600929
2,6-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonylmorpholine
CID 51330482
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)propan-2-amine
CID 104957874
1-(2,6-dimethylmorpholin-4-yl)-1-(2-fluorophenyl)propan-2-amine
CID 55018870
(2S)-2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]propanoic acid
CID 125149387
1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidin-4-one
CID 54975170
1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-4-one
CID 167714144
2,6-dimethyl-4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 55601255
1-[1-(2-fluorophenyl)ethyl]-3-methylpiperazine;hydrochloride
CID 119924252
1-[1-(2-fluorophenyl)ethyl]azetidine-3-carboxylic acid
CID 65072000
1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane
CID 3818846
(2S,6S)-2,6-dimethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonylmorpholine
CID 34060541

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine (CID 60500414) is 4-[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine is CC1CN(S(=O)(=O)N2CCN(C(C)c3ccccc3F)CC2)CC(C)O1.
What is the InChIKey of 4-[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine?
The InChIKey is HBWLGZQRYAQMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O3S/c1-14-12-22(13-15(2)25-14)26(23,24)21-10-8-20(9-11-21)16(3)17-6-4-5-7-18(17)19/h4-7,14-16H,8-13H2,1-3H3.
What are the key properties of 4-[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine?
4-[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine has a molecular weight of 385.51 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 60500414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).