(2R)-1,1,1-trifluoro-2-(1-methylpiperidin-4-yl)propan-2-ol

C9H16F3NO — CID 129298756

IUPAC(2R)-1,1,1-trifluoro-2-(1-methylpiperidin-4-yl)propan-2-ol
SMILESCN1CCC([C@@](C)(O)C(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c1-8(14,9(10,11)12)7-3-5-13(2)6-4-7/h7,14H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyRXKRJUGKSMVIIT-MRVPVSSYSA-N
MW211.23 g/mol
LogP1.64
Rot. Bonds1

About (2R)-1,1,1-trifluoro-2-(1-methylpiperidin-4-yl)propan-2-ol

(2R)-1,1,1-trifluoro-2-(1-methylpiperidin-4-yl)propan-2-ol (PubChem CID 129298756) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-2-(1-methylpiperidin-4-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-2-(1-methylpiperidin-4-yl)propan-2-ol
PubChem CID129298756
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name(2R)-1,1,1-trifluoro-2-(1-methylpiperidin-4-yl)propan-2-ol
SMILESCN1CCC([C@@](C)(O)C(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c1-8(14,9(10,11)12)7-3-5-13(2)6-4-7/h7,14H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyRXKRJUGKSMVIIT-MRVPVSSYSA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-2-(1-methylpiperidin-4-yl)propan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-2-(1-methylpiperidin-4-yl)propan-2-ol (CID 129298756) is (2R)-1,1,1-trifluoro-2-(1-methylpiperidin-4-yl)propan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-2-(1-methylpiperidin-4-yl)propan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-2-(1-methylpiperidin-4-yl)propan-2-ol is CN1CCC([C@@](C)(O)C(F)(F)F)CC1.
What is the InChIKey of (2R)-1,1,1-trifluoro-2-(1-methylpiperidin-4-yl)propan-2-ol?
The InChIKey is RXKRJUGKSMVIIT-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-8(14,9(10,11)12)7-3-5-13(2)6-4-7/h7,14H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-2-(1-methylpiperidin-4-yl)propan-2-ol?
(2R)-1,1,1-trifluoro-2-(1-methylpiperidin-4-yl)propan-2-ol has a molecular weight of 211.23 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-2-(1-methylpiperidin-4-yl)propan-2-ol is sourced from PubChem (CID 129298756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).