3-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol

C15H27F3N2O — CID 110021938

IUPAC3-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNC2CCN(CCC(F)(F)F)CC2)C1
InChIInChI=1S/C15H27F3N2O/c16-15(17,18)6-9-20-7-4-13(5-8-20)19-11-12-2-1-3-14(21)10-12/h12-14,19,21H,1-11H2
InChIKeyNXEGWNHAZJBJPC-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.54
Rot. Bonds5

About 3-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol

3-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 110021938) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 3-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol
PubChem CID110021938
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name3-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNC2CCN(CCC(F)(F)F)CC2)C1
InChIInChI=1S/C15H27F3N2O/c16-15(17,18)6-9-20-7-4-13(5-8-20)19-11-12-2-1-3-14(21)10-12/h12-14,19,21H,1-11H2
InChIKeyNXEGWNHAZJBJPC-UHFFFAOYSA-N
XLogP2.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol (CID 110021938) is 3-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol is OC1CCCC(CNC2CCN(CCC(F)(F)F)CC2)C1.
What is the InChIKey of 3-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is NXEGWNHAZJBJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c16-15(17,18)6-9-20-7-4-13(5-8-20)19-11-12-2-1-3-14(21)10-12/h12-14,19,21H,1-11H2.
What are the key properties of 3-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol?
3-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 308.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 110021938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).