4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]methyl]morpholine

C17H25FN2O3S — CID 70758711

IUPAC4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]methyl]morpholine
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCCCC1CN1CCOCC1
InChIInChI=1S/C17H25FN2O3S/c18-16-6-4-15(5-7-16)14-24(21,22)20-8-2-1-3-17(20)13-19-9-11-23-12-10-19/h4-7,17H,1-3,8-14H2
InChIKeyDEPLDBLHOPWKRU-UHFFFAOYSA-N
MW356.46 g/mol
LogP1.84
Rot. Bonds5

About 4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]methyl]morpholine

4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]methyl]morpholine (PubChem CID 70758711) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is 4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]methyl]morpholine
PubChem CID70758711
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC Name4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]methyl]morpholine
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCCCC1CN1CCOCC1
InChIInChI=1S/C17H25FN2O3S/c18-16-6-4-15(5-7-16)14-24(21,22)20-8-2-1-3-17(20)13-19-9-11-23-12-10-19/h4-7,17H,1-3,8-14H2
InChIKeyDEPLDBLHOPWKRU-UHFFFAOYSA-N
XLogP1.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]methyl]propanamide
CID 120584541
[1-[[4-(aminomethyl)phenyl]methylsulfonyl]piperidin-2-yl]methanol
CID 43579017
4-[[2-(hydroxymethyl)piperidin-1-yl]sulfonylmethyl]benzenecarbothioamide
CID 61407453
N-[[1-[(4-ethylphenyl)methylsulfonyl]piperidin-2-yl]methyl]methanesulfonamide
CID 136532112
4-[[1-[(4-fluoro-1H-indol-3-yl)sulfonyl]pyrrolidin-2-yl]methyl]morpholine
CID 126789845
1-[(4-fluorophenyl)methylsulfonyl]-4-piperidin-1-ylpiperidine
CID 110868518
4-[[1-[(4-fluoro-2-methylphenyl)methylsulfonyl]piperidin-4-yl]methyl]morpholine
CID 86819910
[(2S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-2-yl]methanamine
CID 97165454
1-(1-benzylsulfonylazepan-2-yl)propan-2-ol
CID 79540960
(2R,3R)-1-[(4-fluorophenyl)methylsulfonyl]-2-methylpiperidine-3-carboxylic acid
CID 122105377
[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine
CID 119969410
8-[(4-fluorophenyl)methylsulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 35398957

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]methyl]morpholine (CID 70758711) is 4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]methyl]morpholine is O=S(=O)(Cc1ccc(F)cc1)N1CCCCC1CN1CCOCC1.
What is the InChIKey of 4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]methyl]morpholine?
The InChIKey is DEPLDBLHOPWKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c18-16-6-4-15(5-7-16)14-24(21,22)20-8-2-1-3-17(20)13-19-9-11-23-12-10-19/h4-7,17H,1-3,8-14H2.
What are the key properties of 4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]methyl]morpholine?
4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]methyl]morpholine has a molecular weight of 356.46 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]methyl]morpholine is sourced from PubChem (CID 70758711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).