1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol

C13H23F3N2O — CID 157039324

IUPAC1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol
SMILESOC1CCN(CC2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-18-5-1-11(2-6-18)9-17-7-3-12(19)4-8-17/h11-12,19H,1-10H2
InChIKeyLKPZVWVYMNOIOX-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.72
Rot. Bonds3

About 1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol

1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol (PubChem CID 157039324) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol
PubChem CID157039324
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol
SMILESOC1CCN(CC2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-18-5-1-11(2-6-18)9-17-7-3-12(19)4-8-17/h11-12,19H,1-10H2
InChIKeyLKPZVWVYMNOIOX-UHFFFAOYSA-N
XLogP1.72
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-Difluoro-2-methylpropyl)piperidin-4-ol
CID 90419773
1-[[4-(Trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 127889594
1-[(4,4-Difluorocyclohexyl)methyl]piperidin-4-ol
CID 128699600
1-[5-[4-(2-Fluoroethyl)piperidin-1-yl]hexan-2-yl]piperidin-4-ol
CID 137425990
2-Methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol
CID 155302705
1-[[4-(Difluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 157038897
1-[2-(4,4-Difluorocyclohexyl)ethyl]piperidin-4-ol
CID 157038996
1-(Cyclohexylmethyl)piperidin-4-ol;trifluoromethanol
CID 157039193
1-[[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol
CID 157039345
(3R,5S)-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol
CID 166834173
1-[(4-Fluoro-1-methylpiperidin-4-yl)methyl]piperidin-4-ol
CID 166834210
2,2-Difluoro-3-(3-fluoro-4-methylpiperidin-1-yl)propan-1-ol;ethane
CID 172367508

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol (CID 157039324) is 1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol is OC1CCN(CC2CCN(CC(F)(F)F)CC2)CC1.
What is the InChIKey of 1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol?
The InChIKey is LKPZVWVYMNOIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c14-13(15,16)10-18-5-1-11(2-6-18)9-17-7-3-12(19)4-8-17/h11-12,19H,1-10H2.
What are the key properties of 1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol?
1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol has a molecular weight of 280.33 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 157039324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).