4-[3-[1-(4-methylsulfonylphenyl)piperidin-4-yl]propyl]morpholine

C19H30N2O3S — CID 133452834

IUPAC4-[3-[1-(4-methylsulfonylphenyl)piperidin-4-yl]propyl]morpholine
SMILESCS(=O)(=O)c1ccc(N2CCC(CCCN3CCOCC3)CC2)cc1
InChIInChI=1S/C19H30N2O3S/c1-25(22,23)19-6-4-18(5-7-19)21-11-8-17(9-12-21)3-2-10-20-13-15-24-16-14-20/h4-7,17H,2-3,8-16H2,1H3
InChIKeyVWZVEUGDWXDSOX-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.42
Rot. Bonds6

About 4-[3-[1-(4-methylsulfonylphenyl)piperidin-4-yl]propyl]morpholine

4-[3-[1-(4-methylsulfonylphenyl)piperidin-4-yl]propyl]morpholine (PubChem CID 133452834) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 4-[3-[1-(4-methylsulfonylphenyl)piperidin-4-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[1-(4-methylsulfonylphenyl)piperidin-4-yl]propyl]morpholine
PubChem CID133452834
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name4-[3-[1-(4-methylsulfonylphenyl)piperidin-4-yl]propyl]morpholine
SMILESCS(=O)(=O)c1ccc(N2CCC(CCCN3CCOCC3)CC2)cc1
InChIInChI=1S/C19H30N2O3S/c1-25(22,23)19-6-4-18(5-7-19)21-11-8-17(9-12-21)3-2-10-20-13-15-24-16-14-20/h4-7,17H,2-3,8-16H2,1H3
InChIKeyVWZVEUGDWXDSOX-UHFFFAOYSA-N
XLogP2.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-methylsulfonylphenyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165432011
1-(2-bromoethyl)-4-(4-methylsulfonylphenyl)piperazine
CID 80672677
4-[3-(4-methylcyclohexyl)propyl]morpholine
CID 13157729
8-ethyl-6-methyl-2-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one
CID 10141231
(2S)-2-methyl-4-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]ethyl]morpholine
CID 124625056
2-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 3546363
N-[4-(methoxymethyl)phenyl]-4-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide
CID 119049868
2-methyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 55342252
4-methylsulfonyl-1-N-(2-morpholin-4-ylethyl)benzene-1,2-diamine
CID 43448000
1-(4-methylsulfonylphenyl)-4-pyrrolidin-1-ylazepane
CID 136529901
[1-(4-methylsulfonylphenyl)piperidin-4-yl] acetate
CID 133451665
4-butyl-1-(4-methylphenyl)piperidine
CID 54491585

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(4-methylsulfonylphenyl)piperidin-4-yl]propyl]morpholine?
The IUPAC name of 4-[3-[1-(4-methylsulfonylphenyl)piperidin-4-yl]propyl]morpholine (CID 133452834) is 4-[3-[1-(4-methylsulfonylphenyl)piperidin-4-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[1-(4-methylsulfonylphenyl)piperidin-4-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[1-(4-methylsulfonylphenyl)piperidin-4-yl]propyl]morpholine is CS(=O)(=O)c1ccc(N2CCC(CCCN3CCOCC3)CC2)cc1.
What is the InChIKey of 4-[3-[1-(4-methylsulfonylphenyl)piperidin-4-yl]propyl]morpholine?
The InChIKey is VWZVEUGDWXDSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-25(22,23)19-6-4-18(5-7-19)21-11-8-17(9-12-21)3-2-10-20-13-15-24-16-14-20/h4-7,17H,2-3,8-16H2,1H3.
What are the key properties of 4-[3-[1-(4-methylsulfonylphenyl)piperidin-4-yl]propyl]morpholine?
4-[3-[1-(4-methylsulfonylphenyl)piperidin-4-yl]propyl]morpholine has a molecular weight of 366.53 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(4-methylsulfonylphenyl)piperidin-4-yl]propyl]morpholine is sourced from PubChem (CID 133452834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).