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

C14H25F3N2O — CID 110021852

IUPAC4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(NC2CCN(CCC(F)(F)F)CC2)CC1
InChIInChI=1S/C14H25F3N2O/c15-14(16,17)7-10-19-8-5-12(6-9-19)18-11-1-3-13(20)4-2-11/h11-13,18,20H,1-10H2
InChIKeyQUPNSBBYAKCZPG-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.30
Rot. Bonds4

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

4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 110021852) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol
PubChem CID110021852
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(NC2CCN(CCC(F)(F)F)CC2)CC1
InChIInChI=1S/C14H25F3N2O/c15-14(16,17)7-10-19-8-5-12(6-9-19)18-11-1-3-13(20)4-2-11/h11-13,18,20H,1-10H2
InChIKeyQUPNSBBYAKCZPG-UHFFFAOYSA-N
XLogP2.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol (CID 110021852) is 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol is OC1CCC(NC2CCN(CCC(F)(F)F)CC2)CC1.
What is the InChIKey of 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is QUPNSBBYAKCZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c15-14(16,17)7-10-19-8-5-12(6-9-19)18-11-1-3-13(20)4-2-11/h11-13,18,20H,1-10H2.
What are the key properties of 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol?
4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 294.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 110021852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).