(2S)-1,1,1-trifluoro-2-methyl-3-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol

C14H25F3N2O2 — CID 124874371

IUPAC(2S)-1,1,1-trifluoro-2-methyl-3-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol
SMILESC[C@](O)(CN1CCC[C@@H](CN2CCOCC2)C1)C(F)(F)F
InChIInChI=1S/C14H25F3N2O2/c1-13(20,14(15,16)17)11-19-4-2-3-12(10-19)9-18-5-7-21-8-6-18/h12,20H,2-11H2,1H3/t12-,13-/m0/s1
InChIKeyIIRHUJZVOHJTSX-STQMWFEESA-N
MW310.36 g/mol
LogP1.34
Rot. Bonds4

About (2S)-1,1,1-trifluoro-2-methyl-3-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol

(2S)-1,1,1-trifluoro-2-methyl-3-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol (PubChem CID 124874371) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-2-methyl-3-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-2-methyl-3-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol
PubChem CID124874371
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Name(2S)-1,1,1-trifluoro-2-methyl-3-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol
SMILESC[C@](O)(CN1CCC[C@@H](CN2CCOCC2)C1)C(F)(F)F
InChIInChI=1S/C14H25F3N2O2/c1-13(20,14(15,16)17)11-19-4-2-3-12(10-19)9-18-5-7-21-8-6-18/h12,20H,2-11H2,1H3/t12-,13-/m0/s1
InChIKeyIIRHUJZVOHJTSX-STQMWFEESA-N
XLogP1.34
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-2-methyl-3-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-2-methyl-3-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol (CID 124874371) is (2S)-1,1,1-trifluoro-2-methyl-3-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-2-methyl-3-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-2-methyl-3-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol is C[C@](O)(CN1CCC[C@@H](CN2CCOCC2)C1)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-2-methyl-3-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol?
The InChIKey is IIRHUJZVOHJTSX-STQMWFEESA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-13(20,14(15,16)17)11-19-4-2-3-12(10-19)9-18-5-7-21-8-6-18/h12,20H,2-11H2,1H3/t12-,13-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-2-methyl-3-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol?
(2S)-1,1,1-trifluoro-2-methyl-3-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 310.36 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-2-methyl-3-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 124874371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).