N-(3-methylsulfanylcyclopentyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C13H23F3N2S — CID 103786766

IUPACN-(3-methylsulfanylcyclopentyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCSC1CCC(NC2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C13H23F3N2S/c1-19-12-3-2-11(8-12)17-10-4-6-18(7-5-10)9-13(14,15)16/h10-12,17H,2-9H2,1H3
InChIKeyGPNWIVWVHSNCKI-UHFFFAOYSA-N
MW296.40 g/mol
LogP2.89
Rot. Bonds4

About N-(3-methylsulfanylcyclopentyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(3-methylsulfanylcyclopentyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 103786766) has the molecular formula C13H23F3N2S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(3-methylsulfanylcyclopentyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylcyclopentyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID103786766
Molecular FormulaC13H23F3N2S
Molecular Weight296.40 g/mol
Exact Mass296.15
IUPAC NameN-(3-methylsulfanylcyclopentyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCSC1CCC(NC2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C13H23F3N2S/c1-19-12-3-2-11(8-12)17-10-4-6-18(7-5-10)9-13(14,15)16/h10-12,17H,2-9H2,1H3
InChIKeyGPNWIVWVHSNCKI-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine
CID 146488819
4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclohexane-1,4-diamine
CID 62319981
N-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755345
N-(thian-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 115726551
N-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82706970
N-(2,2-dimethyloxan-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 83033630
N-(2-methyl-3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63981310
N-(3-ethyl-2-methylcyclopentyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 64922310
N-ethoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82709542
N-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82719979
3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 66004496
N-methyl-3-methylsulfanylcyclopentan-1-amine
CID 54595737

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylcyclopentyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(3-methylsulfanylcyclopentyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 103786766) is N-(3-methylsulfanylcyclopentyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(3-methylsulfanylcyclopentyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(3-methylsulfanylcyclopentyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CSC1CCC(NC2CCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of N-(3-methylsulfanylcyclopentyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is GPNWIVWVHSNCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2S/c1-19-12-3-2-11(8-12)17-10-4-6-18(7-5-10)9-13(14,15)16/h10-12,17H,2-9H2,1H3.
What are the key properties of N-(3-methylsulfanylcyclopentyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(3-methylsulfanylcyclopentyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 296.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylcyclopentyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 103786766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).