6-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]hexan-1-one

C18H24F3NO — CID 54339504

IUPAC6-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]hexan-1-one
SMILESO=C(CCCCCN1CCCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H24F3NO/c19-18(20,21)16-10-8-15(9-11-16)17(23)7-3-1-4-12-22-13-5-2-6-14-22/h8-11H,1-7,12-14H2
InChIKeyZJEUMXNELNQHMN-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.93
Rot. Bonds7

About 6-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]hexan-1-one

6-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]hexan-1-one (PubChem CID 54339504) has the molecular formula C18H24F3NO and a molecular weight of 327.39 g/mol. Its IUPAC name is 6-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]hexan-1-one.

Molecular Properties

Compound Name6-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]hexan-1-one
PubChem CID54339504
Molecular FormulaC18H24F3NO
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name6-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]hexan-1-one
SMILESO=C(CCCCCN1CCCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H24F3NO/c19-18(20,21)16-10-8-15(9-11-16)17(23)7-3-1-4-12-22-13-5-2-6-14-22/h8-11H,1-7,12-14H2
InChIKeyZJEUMXNELNQHMN-UHFFFAOYSA-N
XLogP4.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-1-[4-(trifluoromethyl)phenyl]heptan-1-one
CID 66784650
1-(4-ethynylphenyl)-5-piperidin-1-ylpentan-1-one
CID 158323866
1-[4-(4-fluorophenoxy)phenyl]-6-piperidin-1-ylhexan-1-one;hydrochloride
CID 70071282
1-[4-(trifluoromethyl)phenyl]heptan-1-one
CID 11459571
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576
5-(azepan-1-yl)-1-naphthalen-2-ylpentan-1-one
CID 59229826
4-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-one
CID 70436740
1-(3,5-dimethylphenyl)-6-piperidin-1-ylhexan-1-one
CID 54177221
methyl 6-oxo-6-[4-(trifluoromethyl)phenyl]hexanoate
CID 146008143
[4-(3-hydroxypropyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110898053
ethyl 6-oxo-6-[4-(trifluoromethyl)phenyl]hexanoate
CID 24727520
3-piperidin-1-yl-1-[4-[2-[3-(3-piperidin-1-ylpropanoyl)phenyl]propan-2-yl]phenyl]propan-1-one
CID 73213851

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]hexan-1-one?
The IUPAC name of 6-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]hexan-1-one (CID 54339504) is 6-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]hexan-1-one.
What is the SMILES notation for 6-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]hexan-1-one?
The canonical SMILES for 6-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]hexan-1-one is O=C(CCCCCN1CCCCC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]hexan-1-one?
The InChIKey is ZJEUMXNELNQHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3NO/c19-18(20,21)16-10-8-15(9-11-16)17(23)7-3-1-4-12-22-13-5-2-6-14-22/h8-11H,1-7,12-14H2.
What are the key properties of 6-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]hexan-1-one?
6-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]hexan-1-one has a molecular weight of 327.39 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]hexan-1-one is sourced from PubChem (CID 54339504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).