1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

C15H23ClF2N2O2S — CID 120774951

IUPAC1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CCC1N.Cl
InChIInChI=1S/C15H22F2N2O2S.ClH/c1-15(2)10-19(8-7-13(15)18)9-11-3-5-12(6-4-11)22(20,21)14(16)17;/h3-6,13-14H,7-10,18H2,1-2H3;1H
InChIKeyRUPOJIJLVIOCOI-UHFFFAOYSA-N
MW368.88 g/mol
LogP2.66
Rot. Bonds4

About 1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (PubChem CID 120774951) has the molecular formula C15H23ClF2N2O2S and a molecular weight of 368.88 g/mol. Its IUPAC name is 1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
PubChem CID120774951
Molecular FormulaC15H23ClF2N2O2S
Molecular Weight368.88 g/mol
Exact Mass368.11
IUPAC Name1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CCC1N.Cl
InChIInChI=1S/C15H22F2N2O2S.ClH/c1-15(2)10-19(8-7-13(15)18)9-11-3-5-12(6-4-11)22(20,21)14(16)17;/h3-6,13-14H,7-10,18H2,1-2H3;1H
InChIKeyRUPOJIJLVIOCOI-UHFFFAOYSA-N
XLogP2.66
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.88
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-4-amine
CID 120781709
1-[[4-(difluoromethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774453
1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782066
1-[(4-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782053
1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775322
1-[(4-chlorophenyl)methyl]-4-[[4-(difluoromethylsulfonyl)phenyl]methyl]piperazine
CID 112804278
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120847094
methyl 2-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]phenoxy]propanoate;hydrochloride
CID 120781821
6-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-3-methyl-1,3-benzothiazol-2-one;hydrochloride
CID 120847134
5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol;hydrochloride
CID 120781422
3,3-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride
CID 120781479
1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781581

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (CID 120774951) is 1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is CC1(C)CN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CCC1N.Cl.
What is the InChIKey of 1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The InChIKey is RUPOJIJLVIOCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2S.ClH/c1-15(2)10-19(8-7-13(15)18)9-11-3-5-12(6-4-11)22(20,21)14(16)17;/h3-6,13-14H,7-10,18H2,1-2H3;1H.
What are the key properties of 1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride has a molecular weight of 368.88 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120774951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).