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

C18H28N2OS — CID 56792229

IUPAC2-methyl-4-[1-(2-phenylsulfanylethyl)piperidin-4-yl]morpholine
SMILESCC1CN(C2CCN(CCSc3ccccc3)CC2)CCO1
InChIInChI=1S/C18H28N2OS/c1-16-15-20(11-13-21-16)17-7-9-19(10-8-17)12-14-22-18-5-3-2-4-6-18/h2-6,16-17H,7-15H2,1H3
InChIKeyZMZBGOVNGBNARY-UHFFFAOYSA-N
MW320.50 g/mol
LogP2.96
Rot. Bonds5

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

2-methyl-4-[1-(2-phenylsulfanylethyl)piperidin-4-yl]morpholine (PubChem CID 56792229) has the molecular formula C18H28N2OS and a molecular weight of 320.50 g/mol. Its IUPAC name is 2-methyl-4-[1-(2-phenylsulfanylethyl)piperidin-4-yl]morpholine.

Molecular Properties

Compound Name2-methyl-4-[1-(2-phenylsulfanylethyl)piperidin-4-yl]morpholine
PubChem CID56792229
Molecular FormulaC18H28N2OS
Molecular Weight320.50 g/mol
Exact Mass320.19
IUPAC Name2-methyl-4-[1-(2-phenylsulfanylethyl)piperidin-4-yl]morpholine
SMILESCC1CN(C2CCN(CCSc3ccccc3)CC2)CCO1
InChIInChI=1S/C18H28N2OS/c1-16-15-20(11-13-21-16)17-7-9-19(10-8-17)12-14-22-18-5-3-2-4-6-18/h2-6,16-17H,7-15H2,1H3
InChIKeyZMZBGOVNGBNARY-UHFFFAOYSA-N
XLogP2.96
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,6S)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholine
CID 7380570
1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone
CID 60558203
1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553364
1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 60558230
2-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]morpholine
CID 60543071
1-(2-fluorophenyl)-2-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]ethanol
CID 110900534
4,4-dimethyl-1-(2-phenylsulfanylethyl)piperidine
CID 18723211
1,2-dimethyl-4-(2-phenylsulfanylethyl)piperazine
CID 79315398
(3R)-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine;hydrochloride
CID 119904979
N,N-diethyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine
CID 79037843
(2R)-4-cyclopentyl-2-methylmorpholine
CID 131183036
N-methyl-1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]methanamine
CID 63267521

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-(2-phenylsulfanylethyl)piperidin-4-yl]morpholine?
The IUPAC name of 2-methyl-4-[1-(2-phenylsulfanylethyl)piperidin-4-yl]morpholine (CID 56792229) is 2-methyl-4-[1-(2-phenylsulfanylethyl)piperidin-4-yl]morpholine.
What is the SMILES notation for 2-methyl-4-[1-(2-phenylsulfanylethyl)piperidin-4-yl]morpholine?
The canonical SMILES for 2-methyl-4-[1-(2-phenylsulfanylethyl)piperidin-4-yl]morpholine is CC1CN(C2CCN(CCSc3ccccc3)CC2)CCO1.
What is the InChIKey of 2-methyl-4-[1-(2-phenylsulfanylethyl)piperidin-4-yl]morpholine?
The InChIKey is ZMZBGOVNGBNARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2OS/c1-16-15-20(11-13-21-16)17-7-9-19(10-8-17)12-14-22-18-5-3-2-4-6-18/h2-6,16-17H,7-15H2,1H3.
What are the key properties of 2-methyl-4-[1-(2-phenylsulfanylethyl)piperidin-4-yl]morpholine?
2-methyl-4-[1-(2-phenylsulfanylethyl)piperidin-4-yl]morpholine has a molecular weight of 320.50 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-(2-phenylsulfanylethyl)piperidin-4-yl]morpholine is sourced from PubChem (CID 56792229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).