5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-ol

C14H22F3N3O — CID 111462714

IUPAC5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-ol
SMILESOCCCCCN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C14H22F3N3O/c15-14(16,17)12-10-18-13(19-12)11-4-7-20(8-5-11)6-2-1-3-9-21/h10-11,21H,1-9H2,(H,18,19)
InChIKeyOVOVKCKNDBZASA-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.77
Rot. Bonds6

About 5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-ol

5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-ol (PubChem CID 111462714) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is 5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-ol
PubChem CID111462714
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Name5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-ol
SMILESOCCCCCN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C14H22F3N3O/c15-14(16,17)12-10-18-13(19-12)11-4-7-20(8-5-11)6-2-1-3-9-21/h10-11,21H,1-9H2,(H,18,19)
InChIKeyOVOVKCKNDBZASA-UHFFFAOYSA-N
XLogP2.77
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(5-(trifluoromethyl)-1H-imidazol-2-yl)piperidine dihydrochloride
CID 132342161
[4-({methyl[(4-methyl-1H-imidazol-2-yl)methyl]amino}methyl)tetrahydro-2H-pyran-4-yl]methanol
CID 74233960
4-[4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 43650706
4-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]piperidine
CID 61029366
2-[2-Piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol
CID 67112090
4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxylic acid
CID 67112312
4-[5-(trifluoromethyl)-1H-imidazol-2-yl]oxan-4-ol
CID 90030256
2-[2-Piperidin-4-yl-4-(trifluoromethyl)imidazol-1-yl]ethanol;dihydrochloride
CID 117867394
2-[2-Piperidin-4-yl-4-(trifluoromethyl)imidazol-1-yl]ethanol
CID 117867395
1-hydroxy-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 117880760
4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine;hydrochloride
CID 118295278
1-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 118303263

Frequently Asked Questions

What is the IUPAC name of 5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-ol?
The IUPAC name of 5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-ol (CID 111462714) is 5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-ol?
The canonical SMILES for 5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-ol is OCCCCCN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1.
What is the InChIKey of 5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-ol?
The InChIKey is OVOVKCKNDBZASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c15-14(16,17)12-10-18-13(19-12)11-4-7-20(8-5-11)6-2-1-3-9-21/h10-11,21H,1-9H2,(H,18,19).
What are the key properties of 5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-ol?
5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-ol has a molecular weight of 305.34 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-ol is sourced from PubChem (CID 111462714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).