(2S)-1,1,1-trifluoro-3-(4-methylpiperidin-1-yl)propan-2-ol

C9H16F3NO — CID 1482207

IUPAC(2S)-1,1,1-trifluoro-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(C[C@H](O)C(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c1-7-2-4-13(5-3-7)6-8(14)9(10,11)12/h7-8,14H,2-6H2,1H3/t8-/m0/s1
InChIKeyIOXQJHJWIFSYBZ-QMMMGPOBSA-N
MW211.23 g/mol
LogP1.64
Rot. Bonds2

About (2S)-1,1,1-trifluoro-3-(4-methylpiperidin-1-yl)propan-2-ol

(2S)-1,1,1-trifluoro-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 1482207) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID1482207
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name(2S)-1,1,1-trifluoro-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(C[C@H](O)C(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c1-7-2-4-13(5-3-7)6-8(14)9(10,11)12/h7-8,14H,2-6H2,1H3/t8-/m0/s1
InChIKeyIOXQJHJWIFSYBZ-QMMMGPOBSA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 (2S)-1,1,1-trifluoro-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 1482207) is (2S)-1,1,1-trifluoro-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-3-(4-methylpiperidin-1-yl)propan-2-ol is CC1CCN(C[C@H](O)C(F)(F)F)CC1.
What is the InChIKey of (2S)-1,1,1-trifluoro-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is IOXQJHJWIFSYBZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-7-2-4-13(5-3-7)6-8(14)9(10,11)12/h7-8,14H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-3-(4-methylpiperidin-1-yl)propan-2-ol?
(2S)-1,1,1-trifluoro-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 211.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 1482207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).