(3R)-1-ethyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]piperidin-3-ol

C14H25F3N2O — CID 51984833

IUPAC(3R)-1-ethyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]piperidin-3-ol
SMILESCCN1CCC[C@](O)(CN2CCC[C@H](C(F)(F)F)C2)C1
InChIInChI=1S/C14H25F3N2O/c1-2-18-8-4-6-13(20,10-18)11-19-7-3-5-12(9-19)14(15,16)17/h12,20H,2-11H2,1H3/t12-,13+/m0/s1
InChIKeyTYWJQZWQSUJJSI-QWHCGFSZSA-N
MW294.36 g/mol
LogP2.11
Rot. Bonds3

About (3R)-1-ethyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]piperidin-3-ol

(3R)-1-ethyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]piperidin-3-ol (PubChem CID 51984833) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is (3R)-1-ethyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-ethyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]piperidin-3-ol
PubChem CID51984833
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name(3R)-1-ethyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]piperidin-3-ol
SMILESCCN1CCC[C@](O)(CN2CCC[C@H](C(F)(F)F)C2)C1
InChIInChI=1S/C14H25F3N2O/c1-2-18-8-4-6-13(20,10-18)11-19-7-3-5-12(9-19)14(15,16)17/h12,20H,2-11H2,1H3/t12-,13+/m0/s1
InChIKeyTYWJQZWQSUJJSI-QWHCGFSZSA-N
XLogP2.11
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-ethyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]piperidin-3-ol with MolForge

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Related Compounds

1-Tert-butyl-3-(trifluoromethyl)piperidin-3-ol
CID 59539743
1-Ethyl-3-(trifluoromethyl)piperidin-3-ol
CID 89019254
1-Propan-2-yl-3-(trifluoromethyl)piperidin-3-ol
CID 129119612
Ethane;1-methyl-3-(trifluoromethyl)piperidin-3-ol
CID 145307662
1-Butan-2-yl-3-(trifluoromethyl)piperidin-3-ol
CID 146323671
Ethane;1-methyl-3-(trifluoromethyl)piperidin-3-ol
CID 166471354
4,4-Difluoro-1,3-dimethylpiperidin-3-ol;ethane
CID 168906550
3-(Difluoromethyl)-1-propan-2-ylpiperidin-3-ol
CID 172164461
3-(Difluoromethyl)-1-propylpiperidin-3-ol
CID 175738596
1-Propyl-3-(trifluoromethyl)piperidin-3-ol
CID 175945358
4,4-Difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol
CID 176740110
5,5-Difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol;ethane
CID 178173048

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]piperidin-3-ol?
The IUPAC name of (3R)-1-ethyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]piperidin-3-ol (CID 51984833) is (3R)-1-ethyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-ethyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-ethyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]piperidin-3-ol is CCN1CCC[C@](O)(CN2CCC[C@H](C(F)(F)F)C2)C1.
What is the InChIKey of (3R)-1-ethyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]piperidin-3-ol?
The InChIKey is TYWJQZWQSUJJSI-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-2-18-8-4-6-13(20,10-18)11-19-7-3-5-12(9-19)14(15,16)17/h12,20H,2-11H2,1H3/t12-,13+/m0/s1.
What are the key properties of (3R)-1-ethyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]piperidin-3-ol?
(3R)-1-ethyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]piperidin-3-ol has a molecular weight of 294.36 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 51984833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).