[2-(2-chloroethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone

C14H15ClF3NO — CID 63393828

IUPAC[2-(2-chloroethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)c(F)c1)N1CCCCC1CCCl
InChIInChI=1S/C14H15ClF3NO/c15-5-4-10-3-1-2-6-19(10)14(20)9-7-11(16)13(18)12(17)8-9/h7-8,10H,1-6H2
InChIKeyFLOYTDWHLQLIJL-UHFFFAOYSA-N
MW305.73 g/mol
LogP3.73
Rot. Bonds3

About [2-(2-chloroethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone

[2-(2-chloroethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone (PubChem CID 63393828) has the molecular formula C14H15ClF3NO and a molecular weight of 305.73 g/mol. Its IUPAC name is [2-(2-chloroethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name[2-(2-chloroethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
PubChem CID63393828
Molecular FormulaC14H15ClF3NO
Molecular Weight305.73 g/mol
Exact Mass305.08
IUPAC Name[2-(2-chloroethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)c(F)c1)N1CCCCC1CCCl
InChIInChI=1S/C14H15ClF3NO/c15-5-4-10-3-1-2-6-19(10)14(20)9-7-11(16)13(18)12(17)8-9/h7-8,10H,1-6H2
InChIKeyFLOYTDWHLQLIJL-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.73
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[2-(chloromethyl)pyrrolidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 63394259
[2-(2-chloroethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 63393830
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 63186797
[1-(3,4,5-trifluorobenzoyl)piperidin-2-yl]methylurea
CID 56826500
[2-(2-chloroethyl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 55186852
(3-bromophenyl)-[2-(2-chloroethyl)piperidin-1-yl]methanone
CID 63393628
[2-(2-chloroethyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 55187614
[3,5-difluoro-4-(methylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 63187071
[2-(2-chloroethyl)piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63393532
[2-(2-chloroethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
CID 63394055
[2-(2-chloroethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 113436394
[2-(2-chloroethyl)piperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone
CID 114021795

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone?
The IUPAC name of [2-(2-chloroethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone (CID 63393828) is [2-(2-chloroethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone.
What is the SMILES notation for [2-(2-chloroethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone?
The canonical SMILES for [2-(2-chloroethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone is O=C(c1cc(F)c(F)c(F)c1)N1CCCCC1CCCl.
What is the InChIKey of [2-(2-chloroethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone?
The InChIKey is FLOYTDWHLQLIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3NO/c15-5-4-10-3-1-2-6-19(10)14(20)9-7-11(16)13(18)12(17)8-9/h7-8,10H,1-6H2.
What are the key properties of [2-(2-chloroethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone?
[2-(2-chloroethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone has a molecular weight of 305.73 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 63393828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).