4-ethylsulfonyl-1-methyl-4-phenylpiperidine;hydrochloride

C14H22ClNO2S — CID 3063884

IUPAC4-ethylsulfonyl-1-methyl-4-phenylpiperidine;hydrochloride
SMILESCCS(=O)(=O)C1(c2ccccc2)CCN(C)CC1.Cl
InChIInChI=1S/C14H21NO2S.ClH/c1-3-18(16,17)14(9-11-15(2)12-10-14)13-7-5-4-6-8-13;/h4-8H,3,9-12H2,1-2H3;1H
InChIKeyJHKZNQWONBCNNI-UHFFFAOYSA-N
MW303.85 g/mol
LogP2.46
Rot. Bonds3

About 4-ethylsulfonyl-1-methyl-4-phenylpiperidine;hydrochloride

4-ethylsulfonyl-1-methyl-4-phenylpiperidine;hydrochloride (PubChem CID 3063884) has the molecular formula C14H22ClNO2S and a molecular weight of 303.85 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-methyl-4-phenylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-ethylsulfonyl-1-methyl-4-phenylpiperidine;hydrochloride
PubChem CID3063884
Molecular FormulaC14H22ClNO2S
Molecular Weight303.85 g/mol
Exact Mass303.11
IUPAC Name4-ethylsulfonyl-1-methyl-4-phenylpiperidine;hydrochloride
SMILESCCS(=O)(=O)C1(c2ccccc2)CCN(C)CC1.Cl
InChIInChI=1S/C14H21NO2S.ClH/c1-3-18(16,17)14(9-11-15(2)12-10-14)13-7-5-4-6-8-13;/h4-8H,3,9-12H2,1-2H3;1H
InChIKeyJHKZNQWONBCNNI-UHFFFAOYSA-N
XLogP2.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.85
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-methyl-4-phenylpiperidine;hydrochloride?
The IUPAC name of 4-ethylsulfonyl-1-methyl-4-phenylpiperidine;hydrochloride (CID 3063884) is 4-ethylsulfonyl-1-methyl-4-phenylpiperidine;hydrochloride.
What is the SMILES notation for 4-ethylsulfonyl-1-methyl-4-phenylpiperidine;hydrochloride?
The canonical SMILES for 4-ethylsulfonyl-1-methyl-4-phenylpiperidine;hydrochloride is CCS(=O)(=O)C1(c2ccccc2)CCN(C)CC1.Cl.
What is the InChIKey of 4-ethylsulfonyl-1-methyl-4-phenylpiperidine;hydrochloride?
The InChIKey is JHKZNQWONBCNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S.ClH/c1-3-18(16,17)14(9-11-15(2)12-10-14)13-7-5-4-6-8-13;/h4-8H,3,9-12H2,1-2H3;1H.
What are the key properties of 4-ethylsulfonyl-1-methyl-4-phenylpiperidine;hydrochloride?
4-ethylsulfonyl-1-methyl-4-phenylpiperidine;hydrochloride has a molecular weight of 303.85 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-methyl-4-phenylpiperidine;hydrochloride is sourced from PubChem (CID 3063884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).