[4-(chloromethyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone

C14H15ClF3NO — CID 60918116

IUPAC[4-(chloromethyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(CCl)cc1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H15ClF3NO/c15-8-10-3-5-11(6-4-10)13(20)19-7-1-2-12(9-19)14(16,17)18/h3-6,12H,1-2,7-9H2
InChIKeyBTZQHMWLISODQL-UHFFFAOYSA-N
MW305.73 g/mol
LogP3.84
Rot. Bonds2

About [4-(chloromethyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone

[4-(chloromethyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 60918116) has the molecular formula C14H15ClF3NO and a molecular weight of 305.73 g/mol. Its IUPAC name is [4-(chloromethyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(chloromethyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID60918116
Molecular FormulaC14H15ClF3NO
Molecular Weight305.73 g/mol
Exact Mass305.08
IUPAC Name[4-(chloromethyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(CCl)cc1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H15ClF3NO/c15-8-10-3-5-11(6-4-10)13(20)19-7-1-2-12(9-19)14(16,17)18/h3-6,12H,1-2,7-9H2
InChIKeyBTZQHMWLISODQL-UHFFFAOYSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.73
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-(chloromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 43156245
pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 764830
pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride
CID 21235844
(4-ethynylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 170459096
[4-(2,5-dimethylpyrrol-1-yl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 46674111
(3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 103841477
(3-amino-4-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 60918239
(3-amino-4-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 61102754
[4-(chloromethyl)phenyl]-(4-methylazepan-1-yl)methanone
CID 63622830
[3-iodo-4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 172647493
[4-(chloromethyl)phenyl]-(3-propoxypiperidin-1-yl)methanone
CID 61169758
N-[(2S)-butan-2-yl]-4-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 41442273

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-(chloromethyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 60918116) is [4-(chloromethyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(chloromethyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(chloromethyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1ccc(CCl)cc1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of [4-(chloromethyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is BTZQHMWLISODQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3NO/c15-8-10-3-5-11(6-4-10)13(20)19-7-1-2-12(9-19)14(16,17)18/h3-6,12H,1-2,7-9H2.
What are the key properties of [4-(chloromethyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
[4-(chloromethyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 305.73 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 60918116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).