1-methylsulfonyl-3-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]piperidine

C13H23N3O3S — CID 116805394

IUPAC1-methylsulfonyl-3-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]piperidine
SMILESCC(C)n1cc(OCC2CCCN(S(C)(=O)=O)C2)cn1
InChIInChI=1S/C13H23N3O3S/c1-11(2)16-9-13(7-14-16)19-10-12-5-4-6-15(8-12)20(3,17)18/h7,9,11-12H,4-6,8,10H2,1-3H3
InChIKeyLYBOOUYYCUEMPH-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.51
Rot. Bonds5

About 1-methylsulfonyl-3-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]piperidine

1-methylsulfonyl-3-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]piperidine (PubChem CID 116805394) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-methylsulfonyl-3-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]piperidine.

Molecular Properties

Compound Name1-methylsulfonyl-3-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]piperidine
PubChem CID116805394
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name1-methylsulfonyl-3-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]piperidine
SMILESCC(C)n1cc(OCC2CCCN(S(C)(=O)=O)C2)cn1
InChIInChI=1S/C13H23N3O3S/c1-11(2)16-9-13(7-14-16)19-10-12-5-4-6-15(8-12)20(3,17)18/h7,9,11-12H,4-6,8,10H2,1-3H3
InChIKeyLYBOOUYYCUEMPH-UHFFFAOYSA-N
XLogP1.51
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]ethanol
CID 107709460
2-[(3S)-1-methylsulfonylpiperidin-3-yl]-5-(1-propan-2-ylpyrazol-4-yl)pyrazine
CID 124986244
3-[(1-methylsulfonylpiperidin-3-yl)methoxy]pyridin-2-amine
CID 79604536
3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclobutan-1-amine
CID 79610235
1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-ol
CID 116799380
N-[[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 79619913
2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine
CID 124977978
methyl 2-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]imidazole-4-carboxylate
CID 79613124
3-fluoro-4-[(1-methylsulfonylpiperidin-3-yl)methoxy]benzonitrile
CID 103793518
3-[(5-bromo-2-methylphenoxy)methyl]-1-methylsulfonylpiperidine
CID 107284258
2-amino-3-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenol
CID 114764358
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-3-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]piperidine?
The IUPAC name of 1-methylsulfonyl-3-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]piperidine (CID 116805394) is 1-methylsulfonyl-3-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]piperidine.
What is the SMILES notation for 1-methylsulfonyl-3-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]piperidine?
The canonical SMILES for 1-methylsulfonyl-3-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]piperidine is CC(C)n1cc(OCC2CCCN(S(C)(=O)=O)C2)cn1.
What is the InChIKey of 1-methylsulfonyl-3-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]piperidine?
The InChIKey is LYBOOUYYCUEMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-11(2)16-9-13(7-14-16)19-10-12-5-4-6-15(8-12)20(3,17)18/h7,9,11-12H,4-6,8,10H2,1-3H3.
What are the key properties of 1-methylsulfonyl-3-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]piperidine?
1-methylsulfonyl-3-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]piperidine has a molecular weight of 301.41 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-3-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]piperidine is sourced from PubChem (CID 116805394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).