3,3-dimethyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-4-amine

C15H24N2O2S — CID 120781709

IUPAC3,3-dimethyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-4-amine
SMILESCC1(C)CN(Cc2ccc(S(C)(=O)=O)cc2)CCC1N
InChIInChI=1S/C15H24N2O2S/c1-15(2)11-17(9-8-14(15)16)10-12-4-6-13(7-5-12)20(3,18)19/h4-7,14H,8-11,16H2,1-3H3
InChIKeyXDBGQDNHOVHJIV-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.65
Rot. Bonds3

About 3,3-dimethyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-4-amine

3,3-dimethyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-4-amine (PubChem CID 120781709) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-4-amine
PubChem CID120781709
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3,3-dimethyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-4-amine
SMILESCC1(C)CN(Cc2ccc(S(C)(=O)=O)cc2)CCC1N
InChIInChI=1S/C15H24N2O2S/c1-15(2)11-17(9-8-14(15)16)10-12-4-6-13(7-5-12)20(3,18)19/h4-7,14H,8-11,16H2,1-3H3
InChIKeyXDBGQDNHOVHJIV-UHFFFAOYSA-N
XLogP1.65
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774951
3,3-dimethyl-1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120775209
1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775322
1-[(4-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782053
4-tert-butyl-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 58974928
[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methanol
CID 122463493
1-[[4-(difluoromethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774453
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120847094
(3R)-N,N-dimethyl-1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyrrolidin-3-amine
CID 11631823
1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782066
(2R)-2-methyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide
CID 124983073
1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 114267620

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-4-amine?
The IUPAC name of 3,3-dimethyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-4-amine (CID 120781709) is 3,3-dimethyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 3,3-dimethyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 3,3-dimethyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-4-amine is CC1(C)CN(Cc2ccc(S(C)(=O)=O)cc2)CCC1N.
What is the InChIKey of 3,3-dimethyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-4-amine?
The InChIKey is XDBGQDNHOVHJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-15(2)11-17(9-8-14(15)16)10-12-4-6-13(7-5-12)20(3,18)19/h4-7,14H,8-11,16H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-4-amine?
3,3-dimethyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-4-amine has a molecular weight of 296.44 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 120781709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).