1-methyl-4-phenyl-4-propan-2-ylsulfonylpiperidine;hydrochloride

C15H24ClNO2S — CID 3030578

IUPAC1-methyl-4-phenyl-4-propan-2-ylsulfonylpiperidine;hydrochloride
SMILESCC(C)S(=O)(=O)C1(c2ccccc2)CCN(C)CC1.Cl
InChIInChI=1S/C15H23NO2S.ClH/c1-13(2)19(17,18)15(9-11-16(3)12-10-15)14-7-5-4-6-8-14;/h4-8,13H,9-12H2,1-3H3;1H
InChIKeyCHMDNYFVJVVLNR-UHFFFAOYSA-N
MW317.88 g/mol
LogP2.85
Rot. Bonds3

About 1-methyl-4-phenyl-4-propan-2-ylsulfonylpiperidine;hydrochloride

1-methyl-4-phenyl-4-propan-2-ylsulfonylpiperidine;hydrochloride (PubChem CID 3030578) has the molecular formula C15H24ClNO2S and a molecular weight of 317.88 g/mol. Its IUPAC name is 1-methyl-4-phenyl-4-propan-2-ylsulfonylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-methyl-4-phenyl-4-propan-2-ylsulfonylpiperidine;hydrochloride
PubChem CID3030578
Molecular FormulaC15H24ClNO2S
Molecular Weight317.88 g/mol
Exact Mass317.12
IUPAC Name1-methyl-4-phenyl-4-propan-2-ylsulfonylpiperidine;hydrochloride
SMILESCC(C)S(=O)(=O)C1(c2ccccc2)CCN(C)CC1.Cl
InChIInChI=1S/C15H23NO2S.ClH/c1-13(2)19(17,18)15(9-11-16(3)12-10-15)14-7-5-4-6-8-14;/h4-8,13H,9-12H2,1-3H3;1H
InChIKeyCHMDNYFVJVVLNR-UHFFFAOYSA-N
XLogP2.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.88
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenyl-4-propan-2-ylsulfonylpiperidine;hydrochloride?
The IUPAC name of 1-methyl-4-phenyl-4-propan-2-ylsulfonylpiperidine;hydrochloride (CID 3030578) is 1-methyl-4-phenyl-4-propan-2-ylsulfonylpiperidine;hydrochloride.
What is the SMILES notation for 1-methyl-4-phenyl-4-propan-2-ylsulfonylpiperidine;hydrochloride?
The canonical SMILES for 1-methyl-4-phenyl-4-propan-2-ylsulfonylpiperidine;hydrochloride is CC(C)S(=O)(=O)C1(c2ccccc2)CCN(C)CC1.Cl.
What is the InChIKey of 1-methyl-4-phenyl-4-propan-2-ylsulfonylpiperidine;hydrochloride?
The InChIKey is CHMDNYFVJVVLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S.ClH/c1-13(2)19(17,18)15(9-11-16(3)12-10-15)14-7-5-4-6-8-14;/h4-8,13H,9-12H2,1-3H3;1H.
What are the key properties of 1-methyl-4-phenyl-4-propan-2-ylsulfonylpiperidine;hydrochloride?
1-methyl-4-phenyl-4-propan-2-ylsulfonylpiperidine;hydrochloride has a molecular weight of 317.88 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-4-propan-2-ylsulfonylpiperidine;hydrochloride is sourced from PubChem (CID 3030578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).