1-[1-[[2-(trifluoromethyl)phenyl]methylsulfonyl]piperidin-2-yl]ethanamine;hydrochloride

C15H22ClF3N2O2S — CID 120999602

IUPAC1-[1-[[2-(trifluoromethyl)phenyl]methylsulfonyl]piperidin-2-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCCN1S(=O)(=O)Cc1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C15H21F3N2O2S.ClH/c1-11(19)14-8-4-5-9-20(14)23(21,22)10-12-6-2-3-7-13(12)15(16,17)18;/h2-3,6-7,11,14H,4-5,8-10,19H2,1H3;1H
InChIKeyPGKCPQPMENIWLZ-UHFFFAOYSA-N
MW386.87 g/mol
LogP3.16
Rot. Bonds4

About 1-[1-[[2-(trifluoromethyl)phenyl]methylsulfonyl]piperidin-2-yl]ethanamine;hydrochloride

1-[1-[[2-(trifluoromethyl)phenyl]methylsulfonyl]piperidin-2-yl]ethanamine;hydrochloride (PubChem CID 120999602) has the molecular formula C15H22ClF3N2O2S and a molecular weight of 386.87 g/mol. Its IUPAC name is 1-[1-[[2-(trifluoromethyl)phenyl]methylsulfonyl]piperidin-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[[2-(trifluoromethyl)phenyl]methylsulfonyl]piperidin-2-yl]ethanamine;hydrochloride
PubChem CID120999602
Molecular FormulaC15H22ClF3N2O2S
Molecular Weight386.87 g/mol
Exact Mass386.10
IUPAC Name1-[1-[[2-(trifluoromethyl)phenyl]methylsulfonyl]piperidin-2-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCCN1S(=O)(=O)Cc1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C15H21F3N2O2S.ClH/c1-11(19)14-8-4-5-9-20(14)23(21,22)10-12-6-2-3-7-13(12)15(16,17)18;/h2-3,6-7,11,14H,4-5,8-10,19H2,1H3;1H
InChIKeyPGKCPQPMENIWLZ-UHFFFAOYSA-N
XLogP3.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.87
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965265
1-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965190
5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-2-(trifluoromethyl)benzonitrile;hydrochloride
CID 120999573
1-[1-(2-pyridin-2-ylethylsulfonyl)piperidin-2-yl]ethanamine
CID 63255259
(1S)-1-[(2S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 124691045
[1-[(2-chlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine;hydrochloride
CID 119969227
1-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965267
1-[1-(2,3-difluorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965238
1-[2-(1-aminoethyl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one;hydrochloride
CID 119436429
N-(2-aminocyclohexyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 59537672
1-(1-benzylsulfonylpiperidin-2-yl)-N-methylethanamine
CID 63854206
1-[1-(2,3,4-trifluorophenyl)sulfonylpiperidin-2-yl]ethanamine
CID 63255176

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-(trifluoromethyl)phenyl]methylsulfonyl]piperidin-2-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[[2-(trifluoromethyl)phenyl]methylsulfonyl]piperidin-2-yl]ethanamine;hydrochloride (CID 120999602) is 1-[1-[[2-(trifluoromethyl)phenyl]methylsulfonyl]piperidin-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[[2-(trifluoromethyl)phenyl]methylsulfonyl]piperidin-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[[2-(trifluoromethyl)phenyl]methylsulfonyl]piperidin-2-yl]ethanamine;hydrochloride is CC(N)C1CCCCN1S(=O)(=O)Cc1ccccc1C(F)(F)F.Cl.
What is the InChIKey of 1-[1-[[2-(trifluoromethyl)phenyl]methylsulfonyl]piperidin-2-yl]ethanamine;hydrochloride?
The InChIKey is PGKCPQPMENIWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2S.ClH/c1-11(19)14-8-4-5-9-20(14)23(21,22)10-12-6-2-3-7-13(12)15(16,17)18;/h2-3,6-7,11,14H,4-5,8-10,19H2,1H3;1H.
What are the key properties of 1-[1-[[2-(trifluoromethyl)phenyl]methylsulfonyl]piperidin-2-yl]ethanamine;hydrochloride?
1-[1-[[2-(trifluoromethyl)phenyl]methylsulfonyl]piperidin-2-yl]ethanamine;hydrochloride has a molecular weight of 386.87 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-(trifluoromethyl)phenyl]methylsulfonyl]piperidin-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120999602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).