(3R,5S)-5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol

C15H21F3N4O — CID 164916987

IUPAC(3R,5S)-5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol
SMILESO[C@H]1CN[C@H](CN2CCN(c3cccc(C(F)(F)F)n3)CC2)C1
InChIInChI=1S/C15H21F3N4O/c16-15(17,18)13-2-1-3-14(20-13)22-6-4-21(5-7-22)10-11-8-12(23)9-19-11/h1-3,11-12,19,23H,4-10H2/t11-,12+/m0/s1
InChIKeyJLZDWJXAEYACNC-NWDGAFQWSA-N
MW330.35 g/mol
LogP0.95
Rot. Bonds3

About (3R,5S)-5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol

(3R,5S)-5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol (PubChem CID 164916987) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is (3R,5S)-5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol
PubChem CID164916987
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC Name(3R,5S)-5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol
SMILESO[C@H]1CN[C@H](CN2CCN(c3cccc(C(F)(F)F)n3)CC2)C1
InChIInChI=1S/C15H21F3N4O/c16-15(17,18)13-2-1-3-14(20-13)22-6-4-21(5-7-22)10-11-8-12(23)9-19-11/h1-3,11-12,19,23H,4-10H2/t11-,12+/m0/s1
InChIKeyJLZDWJXAEYACNC-NWDGAFQWSA-N
XLogP0.95
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,5S)-5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

(2R)-2-[[3-fluoro-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-yl]methylamino]-3-methylbutan-1-ol
CID 68312620
(2R)-2-[[3-fluoro-6-[3-(trifluoromethyl)piperidin-1-yl]pyridin-2-yl]methylamino]-3-methylbutan-1-ol
CID 68312676
(2R)-2-[[6-(4,4-difluoropiperidin-1-yl)-3-fluoropyridin-2-yl]methylamino]-3-methylbutan-1-ol
CID 68312689
(2R)-2-[[3-fluoro-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridin-2-yl]methylamino]-3-methylbutan-1-ol
CID 68312754
1-[[4-(2-Hydroxypropylamino)-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 117817085
3-(Piperidin-1-ylmethyl)-1-[6-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-ol
CID 70711048
(2R)-3-methyl-2-[(6-piperidin-1-yl-2-pyridinyl)methylamino]butan-1-ol
CID 68312518
(2R)-3-methyl-2-[(6-pyrrolidin-1-yl-2-pyridinyl)methylamino]butan-1-ol
CID 68312570
2-((6-(Trifluoromethyl)pyridin-2-yl)amino)propane-1,3-diol
CID 65314262
2-[ethyl({(3R*,4R*)-4-(hydroxymethyl)-1-[6-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl}methyl)amino]ethanol
CID 70709352
3-[[6-(Trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
CID 72003580
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 167408811

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol (CID 164916987) is (3R,5S)-5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol is O[C@H]1CN[C@H](CN2CCN(c3cccc(C(F)(F)F)n3)CC2)C1.
What is the InChIKey of (3R,5S)-5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol?
The InChIKey is JLZDWJXAEYACNC-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H21F3N4O/c16-15(17,18)13-2-1-3-14(20-13)22-6-4-21(5-7-22)10-11-8-12(23)9-19-11/h1-3,11-12,19,23H,4-10H2/t11-,12+/m0/s1.
What are the key properties of (3R,5S)-5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol?
(3R,5S)-5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol has a molecular weight of 330.35 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 164916987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).