6-[4-(trifluoromethyl)piperidin-1-yl]hexan-3-ol

C12H22F3NO — CID 106802445

IUPAC6-[4-(trifluoromethyl)piperidin-1-yl]hexan-3-ol
SMILESCCC(O)CCCN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-2-11(17)4-3-7-16-8-5-10(6-9-16)12(13,14)15/h10-11,17H,2-9H2,1H3
InChIKeyYZDOHRDMIAMGMB-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.81
Rot. Bonds5

About 6-[4-(trifluoromethyl)piperidin-1-yl]hexan-3-ol

6-[4-(trifluoromethyl)piperidin-1-yl]hexan-3-ol (PubChem CID 106802445) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)piperidin-1-yl]hexan-3-ol.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)piperidin-1-yl]hexan-3-ol
PubChem CID106802445
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name6-[4-(trifluoromethyl)piperidin-1-yl]hexan-3-ol
SMILESCCC(O)CCCN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-2-11(17)4-3-7-16-8-5-10(6-9-16)12(13,14)15/h10-11,17H,2-9H2,1H3
InChIKeyYZDOHRDMIAMGMB-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)piperidin-1-yl]hexan-3-ol?
The IUPAC name of 6-[4-(trifluoromethyl)piperidin-1-yl]hexan-3-ol (CID 106802445) is 6-[4-(trifluoromethyl)piperidin-1-yl]hexan-3-ol.
What is the SMILES notation for 6-[4-(trifluoromethyl)piperidin-1-yl]hexan-3-ol?
The canonical SMILES for 6-[4-(trifluoromethyl)piperidin-1-yl]hexan-3-ol is CCC(O)CCCN1CCC(C(F)(F)F)CC1.
What is the InChIKey of 6-[4-(trifluoromethyl)piperidin-1-yl]hexan-3-ol?
The InChIKey is YZDOHRDMIAMGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-2-11(17)4-3-7-16-8-5-10(6-9-16)12(13,14)15/h10-11,17H,2-9H2,1H3.
What are the key properties of 6-[4-(trifluoromethyl)piperidin-1-yl]hexan-3-ol?
6-[4-(trifluoromethyl)piperidin-1-yl]hexan-3-ol has a molecular weight of 253.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)piperidin-1-yl]hexan-3-ol is sourced from PubChem (CID 106802445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).