4-methyl-N-(4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride

C13H21ClN2O2S — CID 118515414

IUPAC4-methyl-N-(4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride
SMILESCC1(Nc2ccc(S(C)(=O)=O)cc2)CCNCC1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-13(7-9-14-10-8-13)15-11-3-5-12(6-4-11)18(2,16)17;/h3-6,14-15H,7-10H2,1-2H3;1H
InChIKeyDJHMYVMDTIJBKI-UHFFFAOYSA-N
MW304.84 g/mol
LogP2.07
Rot. Bonds3

About 4-methyl-N-(4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride

4-methyl-N-(4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride (PubChem CID 118515414) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is 4-methyl-N-(4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name4-methyl-N-(4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride
PubChem CID118515414
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC Name4-methyl-N-(4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride
SMILESCC1(Nc2ccc(S(C)(=O)=O)cc2)CCNCC1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-13(7-9-14-10-8-13)15-11-3-5-12(6-4-11)18(2,16)17;/h3-6,14-15H,7-10H2,1-2H3;1H
InChIKeyDJHMYVMDTIJBKI-UHFFFAOYSA-N
XLogP2.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride?
The IUPAC name of 4-methyl-N-(4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride (CID 118515414) is 4-methyl-N-(4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for 4-methyl-N-(4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for 4-methyl-N-(4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride is CC1(Nc2ccc(S(C)(=O)=O)cc2)CCNCC1.Cl.
What is the InChIKey of 4-methyl-N-(4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride?
The InChIKey is DJHMYVMDTIJBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S.ClH/c1-13(7-9-14-10-8-13)15-11-3-5-12(6-4-11)18(2,16)17;/h3-6,14-15H,7-10H2,1-2H3;1H.
What are the key properties of 4-methyl-N-(4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride?
4-methyl-N-(4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride has a molecular weight of 304.84 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylsulfonylphenyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 118515414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).