1-propyl-4-(4,4,4-trifluorobutyl)piperidin-4-ol

C12H22F3NO — CID 113326698

IUPAC1-propyl-4-(4,4,4-trifluorobutyl)piperidin-4-ol
SMILESCCCN1CCC(O)(CCCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-2-8-16-9-6-11(17,7-10-16)4-3-5-12(13,14)15/h17H,2-10H2,1H3
InChIKeyMRYDXYBWMTXQCZ-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.96
Rot. Bonds5

About 1-propyl-4-(4,4,4-trifluorobutyl)piperidin-4-ol

1-propyl-4-(4,4,4-trifluorobutyl)piperidin-4-ol (PubChem CID 113326698) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-propyl-4-(4,4,4-trifluorobutyl)piperidin-4-ol.

Molecular Properties

Compound Name1-propyl-4-(4,4,4-trifluorobutyl)piperidin-4-ol
PubChem CID113326698
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1-propyl-4-(4,4,4-trifluorobutyl)piperidin-4-ol
SMILESCCCN1CCC(O)(CCCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-2-8-16-9-6-11(17,7-10-16)4-3-5-12(13,14)15/h17H,2-10H2,1H3
InChIKeyMRYDXYBWMTXQCZ-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Piperidinol, 1,4-dibutyl-, hydrochloride
CID 3048622
1-Methyl-4-(2-methylpropyl)piperidin-4-ol
CID 23395567
1-(2,2-Dimethylpropyl)-4-(trifluoromethyl)piperidin-4-ol
CID 57845663
1-(3,3-Dimethylbutyl)-4-(trifluoromethyl)piperidin-4-ol
CID 57892085
1-Propan-2-yl-4-(trifluoromethyl)piperidin-4-ol
CID 58386313
1-Methyl-4-(trifluoromethyl)piperidin-4-ol
CID 58742145
1-Tert-butyl-4-(trifluoromethyl)piperidin-4-ol
CID 58877825
1-Ethyl-4-(trifluoromethyl)piperidin-4-ol
CID 61644735
1-Propyl-4-(trifluoromethyl)piperidin-4-ol
CID 61644948
1-(2-Methylpropyl)-4-(trifluoromethyl)piperidin-4-ol
CID 70967810
1-(2,2-Dimethylbutyl)-4-(trifluoromethyl)piperidin-4-ol
CID 71174605
4-(Difluoromethyl)-1-methylpiperidin-4-ol
CID 80604972

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-(4,4,4-trifluorobutyl)piperidin-4-ol?
The IUPAC name of 1-propyl-4-(4,4,4-trifluorobutyl)piperidin-4-ol (CID 113326698) is 1-propyl-4-(4,4,4-trifluorobutyl)piperidin-4-ol.
What is the SMILES notation for 1-propyl-4-(4,4,4-trifluorobutyl)piperidin-4-ol?
The canonical SMILES for 1-propyl-4-(4,4,4-trifluorobutyl)piperidin-4-ol is CCCN1CCC(O)(CCCC(F)(F)F)CC1.
What is the InChIKey of 1-propyl-4-(4,4,4-trifluorobutyl)piperidin-4-ol?
The InChIKey is MRYDXYBWMTXQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-2-8-16-9-6-11(17,7-10-16)4-3-5-12(13,14)15/h17H,2-10H2,1H3.
What are the key properties of 1-propyl-4-(4,4,4-trifluorobutyl)piperidin-4-ol?
1-propyl-4-(4,4,4-trifluorobutyl)piperidin-4-ol has a molecular weight of 253.31 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-(4,4,4-trifluorobutyl)piperidin-4-ol is sourced from PubChem (CID 113326698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).