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

C14H25F3N2O — CID 155302705

IUPAC2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol
SMILESCC1CC(O)CCN1CC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O/c1-11-8-13(20)4-7-19(11)9-12-2-5-18(6-3-12)10-14(15,16)17/h11-13,20H,2-10H2,1H3
InChIKeyQEVGCKXQZHEURI-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.11
Rot. Bonds3

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

2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol (PubChem CID 155302705) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol
PubChem CID155302705
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol
SMILESCC1CC(O)CCN1CC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O/c1-11-8-13(20)4-7-19(11)9-12-2-5-18(6-3-12)10-14(15,16)17/h11-13,20H,2-10H2,1H3
InChIKeyQEVGCKXQZHEURI-UHFFFAOYSA-N
XLogP2.11
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2,2,2-Trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol
CID 60046634
2,2-Difluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol
CID 129298365
(1R)-2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol
CID 129298760
(1S)-2,2,2-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol
CID 129298762
1-[1-[4-[(1-Tert-butylpiperidin-4-yl)methoxy]-2-methylbutan-2-yl]piperidin-4-yl]-2,2,2-trifluoroethanol
CID 135275014
1-[5-[4-(2-Fluoroethyl)piperidin-1-yl]hexan-2-yl]piperidin-4-ol
CID 137425990
Ethane;2-(1-methylpiperidin-2-yl)ethanol;1-methyl-4-(trifluoromethyl)piperidine
CID 144877680
3,3-Difluoro-1-propan-2-ylpiperidin-4-ol;ethane;2-(1-methylpiperidin-3-yl)ethanol
CID 153592479
2-Methyl-1-[[3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 155302441
2-methyl-1-[[(3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 155302491
1-[2-(4,4-Difluorocyclohexyl)ethyl]-2-methylpiperidin-4-ol
CID 155302644
2-Methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-4-ol
CID 155302688

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol?
The IUPAC name of 2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol (CID 155302705) is 2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol?
The canonical SMILES for 2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol is CC1CC(O)CCN1CC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol?
The InChIKey is QEVGCKXQZHEURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-11-8-13(20)4-7-19(11)9-12-2-5-18(6-3-12)10-14(15,16)17/h11-13,20H,2-10H2,1H3.
What are the key properties of 2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol?
2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol has a molecular weight of 294.36 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 155302705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).