5-(4-methylpiperidin-1-yl)-1-[4-(trifluoromethyl)phenyl]pentan-1-ol

C18H26F3NO — CID 142203549

IUPAC5-(4-methylpiperidin-1-yl)-1-[4-(trifluoromethyl)phenyl]pentan-1-ol
SMILESCC1CCN(CCCCC(O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H26F3NO/c1-14-9-12-22(13-10-14)11-3-2-4-17(23)15-5-7-16(8-6-15)18(19,20)21/h5-8,14,17,23H,2-4,9-13H2,1H3
InChIKeyPVLGCAGEQYEACE-UHFFFAOYSA-N
MW329.41 g/mol
LogP4.64
Rot. Bonds6

About 5-(4-methylpiperidin-1-yl)-1-[4-(trifluoromethyl)phenyl]pentan-1-ol

5-(4-methylpiperidin-1-yl)-1-[4-(trifluoromethyl)phenyl]pentan-1-ol (PubChem CID 142203549) has the molecular formula C18H26F3NO and a molecular weight of 329.41 g/mol. Its IUPAC name is 5-(4-methylpiperidin-1-yl)-1-[4-(trifluoromethyl)phenyl]pentan-1-ol.

Molecular Properties

Compound Name5-(4-methylpiperidin-1-yl)-1-[4-(trifluoromethyl)phenyl]pentan-1-ol
PubChem CID142203549
Molecular FormulaC18H26F3NO
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name5-(4-methylpiperidin-1-yl)-1-[4-(trifluoromethyl)phenyl]pentan-1-ol
SMILESCC1CCN(CCCCC(O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H26F3NO/c1-14-9-12-22(13-10-14)11-3-2-4-17(23)15-5-7-16(8-6-15)18(19,20)21/h5-8,14,17,23H,2-4,9-13H2,1H3
InChIKeyPVLGCAGEQYEACE-UHFFFAOYSA-N
XLogP4.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tert-butylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82105508
(1S)-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 70247468
1-(4-fluoro-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073408
1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol
CID 62619690
1-(4-tert-butylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82105507
4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 65091791
ethane;1-[4-[4-(trifluoromethyl)phenyl]phenyl]heptan-1-ol
CID 143149816
3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine
CID 86887618
1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073664
6-(4-methylpiperidin-1-yl)hexan-3-ol
CID 106802233
2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid;yttrium
CID 169429870
2-(azepan-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 117244530

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-1-yl)-1-[4-(trifluoromethyl)phenyl]pentan-1-ol?
The IUPAC name of 5-(4-methylpiperidin-1-yl)-1-[4-(trifluoromethyl)phenyl]pentan-1-ol (CID 142203549) is 5-(4-methylpiperidin-1-yl)-1-[4-(trifluoromethyl)phenyl]pentan-1-ol.
What is the SMILES notation for 5-(4-methylpiperidin-1-yl)-1-[4-(trifluoromethyl)phenyl]pentan-1-ol?
The canonical SMILES for 5-(4-methylpiperidin-1-yl)-1-[4-(trifluoromethyl)phenyl]pentan-1-ol is CC1CCN(CCCCC(O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 5-(4-methylpiperidin-1-yl)-1-[4-(trifluoromethyl)phenyl]pentan-1-ol?
The InChIKey is PVLGCAGEQYEACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3NO/c1-14-9-12-22(13-10-14)11-3-2-4-17(23)15-5-7-16(8-6-15)18(19,20)21/h5-8,14,17,23H,2-4,9-13H2,1H3.
What are the key properties of 5-(4-methylpiperidin-1-yl)-1-[4-(trifluoromethyl)phenyl]pentan-1-ol?
5-(4-methylpiperidin-1-yl)-1-[4-(trifluoromethyl)phenyl]pentan-1-ol has a molecular weight of 329.41 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-1-yl)-1-[4-(trifluoromethyl)phenyl]pentan-1-ol is sourced from PubChem (CID 142203549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).