(R)-piperidin-4-yl-[4-(trifluoromethylsulfanyl)phenyl]methanamine

C13H17F3N2S — CID 171314433

IUPAC(R)-piperidin-4-yl-[4-(trifluoromethylsulfanyl)phenyl]methanamine
SMILESN[C@@H](c1ccc(SC(F)(F)F)cc1)C1CCNCC1
InChIInChI=1S/C13H17F3N2S/c14-13(15,16)19-11-3-1-9(2-4-11)12(17)10-5-7-18-8-6-10/h1-4,10,12,18H,5-8,17H2/t12-/m0/s1
InChIKeyDSACKNHDJLFNSS-LBPRGKRZSA-N
MW290.35 g/mol
LogP3.30
Rot. Bonds3

About (R)-piperidin-4-yl-[4-(trifluoromethylsulfanyl)phenyl]methanamine

(R)-piperidin-4-yl-[4-(trifluoromethylsulfanyl)phenyl]methanamine (PubChem CID 171314433) has the molecular formula C13H17F3N2S and a molecular weight of 290.35 g/mol. Its IUPAC name is (R)-piperidin-4-yl-[4-(trifluoromethylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound Name(R)-piperidin-4-yl-[4-(trifluoromethylsulfanyl)phenyl]methanamine
PubChem CID171314433
Molecular FormulaC13H17F3N2S
Molecular Weight290.35 g/mol
Exact Mass290.11
IUPAC Name(R)-piperidin-4-yl-[4-(trifluoromethylsulfanyl)phenyl]methanamine
SMILESN[C@@H](c1ccc(SC(F)(F)F)cc1)C1CCNCC1
InChIInChI=1S/C13H17F3N2S/c14-13(15,16)19-11-3-1-9(2-4-11)12(17)10-5-7-18-8-6-10/h1-4,10,12,18H,5-8,17H2/t12-/m0/s1
InChIKeyDSACKNHDJLFNSS-LBPRGKRZSA-N
XLogP3.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 171314104
(4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride
CID 24829096
(1S,2R)-2-amino-1-cyclopropyl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol
CID 171263172
1-[(S)-cyclopropyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;dihydrochloride
CID 171278996
1-[(S)-cyclopentyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine
CID 171165271
(3,4-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287810
(1R)-4,4,4-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]butan-1-amine
CID 171207253
(R)-(4-fluoro-3-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314319
1-[(1R)-2-fluoro-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]piperazine
CID 171182558
1-[(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]piperazine;hydrochloride
CID 171165322
(R)-(6-chloro-3-pyridinyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314290
(R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314201

Frequently Asked Questions

What is the IUPAC name of (R)-piperidin-4-yl-[4-(trifluoromethylsulfanyl)phenyl]methanamine?
The IUPAC name of (R)-piperidin-4-yl-[4-(trifluoromethylsulfanyl)phenyl]methanamine (CID 171314433) is (R)-piperidin-4-yl-[4-(trifluoromethylsulfanyl)phenyl]methanamine.
What is the SMILES notation for (R)-piperidin-4-yl-[4-(trifluoromethylsulfanyl)phenyl]methanamine?
The canonical SMILES for (R)-piperidin-4-yl-[4-(trifluoromethylsulfanyl)phenyl]methanamine is N[C@@H](c1ccc(SC(F)(F)F)cc1)C1CCNCC1.
What is the InChIKey of (R)-piperidin-4-yl-[4-(trifluoromethylsulfanyl)phenyl]methanamine?
The InChIKey is DSACKNHDJLFNSS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17F3N2S/c14-13(15,16)19-11-3-1-9(2-4-11)12(17)10-5-7-18-8-6-10/h1-4,10,12,18H,5-8,17H2/t12-/m0/s1.
What are the key properties of (R)-piperidin-4-yl-[4-(trifluoromethylsulfanyl)phenyl]methanamine?
(R)-piperidin-4-yl-[4-(trifluoromethylsulfanyl)phenyl]methanamine has a molecular weight of 290.35 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-piperidin-4-yl-[4-(trifluoromethylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 171314433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).