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

C15H27F3N2O — CID 110021885

IUPAC1-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESOC1(CNC2CCN(CCC(F)(F)F)CC2)CCCCC1
InChIInChI=1S/C15H27F3N2O/c16-15(17,18)8-11-20-9-4-13(5-10-20)19-12-14(21)6-2-1-3-7-14/h13,19,21H,1-12H2
InChIKeyCMWDZMRZQHLCDV-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.69
Rot. Bonds5

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

1-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 110021885) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol
PubChem CID110021885
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name1-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESOC1(CNC2CCN(CCC(F)(F)F)CC2)CCCCC1
InChIInChI=1S/C15H27F3N2O/c16-15(17,18)8-11-20-9-4-13(5-10-20)19-12-14(21)6-2-1-3-7-14/h13,19,21H,1-12H2
InChIKeyCMWDZMRZQHLCDV-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol (CID 110021885) is 1-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol is OC1(CNC2CCN(CCC(F)(F)F)CC2)CCCCC1.
What is the InChIKey of 1-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is CMWDZMRZQHLCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c16-15(17,18)8-11-20-9-4-13(5-10-20)19-12-14(21)6-2-1-3-7-14/h13,19,21H,1-12H2.
What are the key properties of 1-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol?
1-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 308.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 110021885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).