1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-ol

C13H17F3NO+ — CID 6936860

IUPAC1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-ol
SMILESOC1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-3-1-10(2-4-11)9-17-7-5-12(18)6-8-17/h1-4,12,18H,5-9H2/p+1
InChIKeyRGCJRCWSAFYTDK-UHFFFAOYSA-O
MW260.28 g/mol
LogP1.25
Rot. Bonds2

About 1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-ol

1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-ol (PubChem CID 6936860) has the molecular formula C13H17F3NO+ and a molecular weight of 260.28 g/mol. Its IUPAC name is 1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-ol.

Molecular Properties

Compound Name1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-ol
PubChem CID6936860
Molecular FormulaC13H17F3NO+
Molecular Weight260.28 g/mol
Exact Mass260.13
IUPAC Name1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-ol
SMILESOC1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-3-1-10(2-4-11)9-17-7-5-12(18)6-8-17/h1-4,12,18H,5-9H2/p+1
InChIKeyRGCJRCWSAFYTDK-UHFFFAOYSA-O
XLogP1.25
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium
CID 7026401
1-(4-hydroxypiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 111108326
N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 7451559
1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene
CID 160836362
(3-fluorophenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone
CID 4755342
N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentanamine
CID 4264836
2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 65146410
1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene
CID 67129674
3-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentan-1-ol
CID 65154318
3-[[4-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-ol
CID 65177095
3-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 65145739
1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 62114725

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-ol?
The IUPAC name of 1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-ol (CID 6936860) is 1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-ol.
What is the SMILES notation for 1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-ol?
The canonical SMILES for 1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-ol is OC1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-ol?
The InChIKey is RGCJRCWSAFYTDK-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)11-3-1-10(2-4-11)9-17-7-5-12(18)6-8-17/h1-4,12,18H,5-9H2/p+1.
What are the key properties of 1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-ol?
1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-ol has a molecular weight of 260.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-ol is sourced from PubChem (CID 6936860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).