1-(1-methylsulfonylpiperidin-4-yl)-4-propan-2-ylpiperidine

C14H28N2O2S — CID 129082744

IUPAC1-(1-methylsulfonylpiperidin-4-yl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(C2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C14H28N2O2S/c1-12(2)13-4-8-15(9-5-13)14-6-10-16(11-7-14)19(3,17)18/h12-14H,4-11H2,1-3H3
InChIKeyJEFMFLBREZRXFW-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.78
Rot. Bonds3

About 1-(1-methylsulfonylpiperidin-4-yl)-4-propan-2-ylpiperidine

1-(1-methylsulfonylpiperidin-4-yl)-4-propan-2-ylpiperidine (PubChem CID 129082744) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-(1-methylsulfonylpiperidin-4-yl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(1-methylsulfonylpiperidin-4-yl)-4-propan-2-ylpiperidine
PubChem CID129082744
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name1-(1-methylsulfonylpiperidin-4-yl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(C2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C14H28N2O2S/c1-12(2)13-4-8-15(9-5-13)14-6-10-16(11-7-14)19(3,17)18/h12-14H,4-11H2,1-3H3
InChIKeyJEFMFLBREZRXFW-UHFFFAOYSA-N
XLogP1.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpiperidin-4-yl)-4-propan-2-ylpiperidine?
The IUPAC name of 1-(1-methylsulfonylpiperidin-4-yl)-4-propan-2-ylpiperidine (CID 129082744) is 1-(1-methylsulfonylpiperidin-4-yl)-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-(1-methylsulfonylpiperidin-4-yl)-4-propan-2-ylpiperidine?
The canonical SMILES for 1-(1-methylsulfonylpiperidin-4-yl)-4-propan-2-ylpiperidine is CC(C)C1CCN(C2CCN(S(C)(=O)=O)CC2)CC1.
What is the InChIKey of 1-(1-methylsulfonylpiperidin-4-yl)-4-propan-2-ylpiperidine?
The InChIKey is JEFMFLBREZRXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-12(2)13-4-8-15(9-5-13)14-6-10-16(11-7-14)19(3,17)18/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-(1-methylsulfonylpiperidin-4-yl)-4-propan-2-ylpiperidine?
1-(1-methylsulfonylpiperidin-4-yl)-4-propan-2-ylpiperidine has a molecular weight of 288.46 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpiperidin-4-yl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 129082744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).