1,1,1-trifluoro-3-(2-piperidin-4-ylpyrrolidin-1-yl)propan-2-ol

C12H21F3N2O — CID 66273235

IUPAC1,1,1-trifluoro-3-(2-piperidin-4-ylpyrrolidin-1-yl)propan-2-ol
SMILESOC(CN1CCCC1C1CCNCC1)C(F)(F)F
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)11(18)8-17-7-1-2-10(17)9-3-5-16-6-4-9/h9-11,16,18H,1-8H2
InChIKeyPOMGAXUMQGHOBF-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.37
Rot. Bonds3

About 1,1,1-trifluoro-3-(2-piperidin-4-ylpyrrolidin-1-yl)propan-2-ol

1,1,1-trifluoro-3-(2-piperidin-4-ylpyrrolidin-1-yl)propan-2-ol (PubChem CID 66273235) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(2-piperidin-4-ylpyrrolidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(2-piperidin-4-ylpyrrolidin-1-yl)propan-2-ol
PubChem CID66273235
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name1,1,1-trifluoro-3-(2-piperidin-4-ylpyrrolidin-1-yl)propan-2-ol
SMILESOC(CN1CCCC1C1CCNCC1)C(F)(F)F
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)11(18)8-17-7-1-2-10(17)9-3-5-16-6-4-9/h9-11,16,18H,1-8H2
InChIKeyPOMGAXUMQGHOBF-UHFFFAOYSA-N
XLogP1.37
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-3,3,3-trifluoropropyl)-2-cyclopentylpyrrolidine
CID 64758957
(2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol
CID 103934975
1-(2,2-difluoroethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 130841053
tert-butyl (2S)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylate
CID 113330977
1-cyclopentyl-2-(2-cyclopentylpyrrolidin-1-yl)ethanol
CID 104752736
1-ethyl-2-piperidin-4-ylazepane
CID 64852207
1-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one
CID 79546157
(2S)-1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-aminopropan-2-ol
CID 130492481
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropropan-2-ol
CID 112561733
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-cyclohexylethanol
CID 102727879
4-(1-benzylpyrrolidin-2-yl)piperidine
CID 82385405
(2-cyclopropylpyrrolidin-1-yl)methanamine
CID 174481427

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(2-piperidin-4-ylpyrrolidin-1-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(2-piperidin-4-ylpyrrolidin-1-yl)propan-2-ol (CID 66273235) is 1,1,1-trifluoro-3-(2-piperidin-4-ylpyrrolidin-1-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(2-piperidin-4-ylpyrrolidin-1-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(2-piperidin-4-ylpyrrolidin-1-yl)propan-2-ol is OC(CN1CCCC1C1CCNCC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(2-piperidin-4-ylpyrrolidin-1-yl)propan-2-ol?
The InChIKey is POMGAXUMQGHOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c13-12(14,15)11(18)8-17-7-1-2-10(17)9-3-5-16-6-4-9/h9-11,16,18H,1-8H2.
What are the key properties of 1,1,1-trifluoro-3-(2-piperidin-4-ylpyrrolidin-1-yl)propan-2-ol?
1,1,1-trifluoro-3-(2-piperidin-4-ylpyrrolidin-1-yl)propan-2-ol has a molecular weight of 266.31 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(2-piperidin-4-ylpyrrolidin-1-yl)propan-2-ol is sourced from PubChem (CID 66273235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).