4-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol

C9H16F3NO — CID 103898424

IUPAC4-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol
SMILESCC1CCN(CCC(F)(F)F)CC1O
InChIInChI=1S/C9H16F3NO/c1-7-2-4-13(6-8(7)14)5-3-9(10,11)12/h7-8,14H,2-6H2,1H3
InChIKeyKKOXMXGMTIPQGV-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.64
Rot. Bonds2

About 4-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol

4-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol (PubChem CID 103898424) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 4-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol
PubChem CID103898424
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name4-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol
SMILESCC1CCN(CCC(F)(F)F)CC1O
InChIInChI=1S/C9H16F3NO/c1-7-2-4-13(6-8(7)14)5-3-9(10,11)12/h7-8,14H,2-6H2,1H3
InChIKeyKKOXMXGMTIPQGV-UHFFFAOYSA-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 4-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol?
The IUPAC name of 4-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol (CID 103898424) is 4-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol.
What is the SMILES notation for 4-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol?
The canonical SMILES for 4-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol is CC1CCN(CCC(F)(F)F)CC1O.
What is the InChIKey of 4-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol?
The InChIKey is KKOXMXGMTIPQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-7-2-4-13(6-8(7)14)5-3-9(10,11)12/h7-8,14H,2-6H2,1H3.
What are the key properties of 4-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol?
4-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-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 4-methyl-1-(3,3,3-trifluoropropyl)piperidin-3-ol is sourced from PubChem (CID 103898424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).