N-methyl-1-piperidin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine

C15H21F3N2S — CID 106622875

IUPACN-methyl-1-piperidin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine
SMILESCN(Cc1ccc(SC(F)(F)F)cc1)CC1CCCCN1
InChIInChI=1S/C15H21F3N2S/c1-20(11-13-4-2-3-9-19-13)10-12-5-7-14(8-6-12)21-15(16,17)18/h5-8,13,19H,2-4,9-11H2,1H3
InChIKeyOLGUVIJFWUJARF-UHFFFAOYSA-N
MW318.41 g/mol
LogP3.87
Rot. Bonds5

About N-methyl-1-piperidin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine

N-methyl-1-piperidin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine (PubChem CID 106622875) has the molecular formula C15H21F3N2S and a molecular weight of 318.41 g/mol. Its IUPAC name is N-methyl-1-piperidin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-piperidin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine
PubChem CID106622875
Molecular FormulaC15H21F3N2S
Molecular Weight318.41 g/mol
Exact Mass318.14
IUPAC NameN-methyl-1-piperidin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine
SMILESCN(Cc1ccc(SC(F)(F)F)cc1)CC1CCCCN1
InChIInChI=1S/C15H21F3N2S/c1-20(11-13-4-2-3-9-19-13)10-12-5-7-14(8-6-12)21-15(16,17)18/h5-8,13,19H,2-4,9-11H2,1H3
InChIKeyOLGUVIJFWUJARF-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-piperidin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 61412988
N-methyl-1-piperidin-2-yl-N-[(4-propan-2-ylphenyl)methyl]methanamine
CID 106623045
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 106622812
N-methyl-N-[(4-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine
CID 106622922
2-(4-fluorophenyl)sulfanyl-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106635479
N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642062
N-methyl-1-pyrrolidin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)methanamine
CID 115208315
1-(azepan-2-yl)-N-(furan-3-ylmethyl)-N-methylmethanamine
CID 64570164
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106613733
N-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 106635442
N-(azepan-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
CID 64570764
N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-[(2R)-piperidin-2-yl]methanamine
CID 97164232

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-piperidin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine?
The IUPAC name of N-methyl-1-piperidin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine (CID 106622875) is N-methyl-1-piperidin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine.
What is the SMILES notation for N-methyl-1-piperidin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine?
The canonical SMILES for N-methyl-1-piperidin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine is CN(Cc1ccc(SC(F)(F)F)cc1)CC1CCCCN1.
What is the InChIKey of N-methyl-1-piperidin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine?
The InChIKey is OLGUVIJFWUJARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2S/c1-20(11-13-4-2-3-9-19-13)10-12-5-7-14(8-6-12)21-15(16,17)18/h5-8,13,19H,2-4,9-11H2,1H3.
What are the key properties of N-methyl-1-piperidin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine?
N-methyl-1-piperidin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine has a molecular weight of 318.41 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-piperidin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine is sourced from PubChem (CID 106622875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).