(3S)-4-piperidin-1-yl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine

C16H22F3N3O — CID 162593417

IUPAC(3S)-4-piperidin-1-yl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
SMILESFC(F)(F)Oc1cccc(N[C@H]2CNCC2N2CCCCC2)c1
InChIInChI=1S/C16H22F3N3O/c17-16(18,19)23-13-6-4-5-12(9-13)21-14-10-20-11-15(14)22-7-2-1-3-8-22/h4-6,9,14-15,20-21H,1-3,7-8,10-11H2/t14-,15?/m0/s1
InChIKeyRQUYGGLIIAPJKD-MLCCFXAWSA-N
MW329.37 g/mol
LogP2.82
Rot. Bonds4

About (3S)-4-piperidin-1-yl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine

(3S)-4-piperidin-1-yl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine (PubChem CID 162593417) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is (3S)-4-piperidin-1-yl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-4-piperidin-1-yl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
PubChem CID162593417
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC Name(3S)-4-piperidin-1-yl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
SMILESFC(F)(F)Oc1cccc(N[C@H]2CNCC2N2CCCCC2)c1
InChIInChI=1S/C16H22F3N3O/c17-16(18,19)23-13-6-4-5-12(9-13)21-14-10-20-11-15(14)22-7-2-1-3-8-22/h4-6,9,14-15,20-21H,1-3,7-8,10-11H2/t14-,15?/m0/s1
InChIKeyRQUYGGLIIAPJKD-MLCCFXAWSA-N
XLogP2.82
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-piperidin-1-yl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
CID 90404822
N-[3-(trifluoromethoxy)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43121637
[4-piperidin-1-yl-5-[3-(trifluoromethoxy)anilino]pyrrolidin-2-yl] 2,2-dimethylpropanoate
CID 174777438
4-[3-(trifluoromethoxy)anilino]oxolan-3-ol
CID 60899392
2-(3-piperidin-1-ylcyclobutyl)-1-[3-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 120663019
N-[3-(trifluoromethoxy)phenyl]-1,5-diazabicyclo[3.2.2]nonane-6-carboxamide
CID 75394664
N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
CID 52560778
(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 153367461
8-methyl-N-[3-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 43131680
tert-butyl (3S,4S)-3-hydroxy-4-[3-(trifluoromethoxy)anilino]pyrrolidine-1-carboxylate
CID 90406004
N-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115465964
N-(3-propoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853542

Frequently Asked Questions

What is the IUPAC name of (3S)-4-piperidin-1-yl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-4-piperidin-1-yl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine (CID 162593417) is (3S)-4-piperidin-1-yl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-4-piperidin-1-yl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-4-piperidin-1-yl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine is FC(F)(F)Oc1cccc(N[C@H]2CNCC2N2CCCCC2)c1.
What is the InChIKey of (3S)-4-piperidin-1-yl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine?
The InChIKey is RQUYGGLIIAPJKD-MLCCFXAWSA-N. The full InChI is InChI=1S/C16H22F3N3O/c17-16(18,19)23-13-6-4-5-12(9-13)21-14-10-20-11-15(14)22-7-2-1-3-8-22/h4-6,9,14-15,20-21H,1-3,7-8,10-11H2/t14-,15?/m0/s1.
What are the key properties of (3S)-4-piperidin-1-yl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine?
(3S)-4-piperidin-1-yl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine has a molecular weight of 329.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-piperidin-1-yl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 162593417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).