(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone

C13H13ClF3NO — CID 63391010

IUPAC(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCC(Cl)CC1
InChIInChI=1S/C13H13ClF3NO/c14-9-5-7-18(8-6-9)12(19)10-3-1-2-4-11(10)13(15,16)17/h1-4,9H,5-8H2
InChIKeySPHZRLWYAYTHPF-UHFFFAOYSA-N
MW291.70 g/mol
LogP3.55
Rot. Bonds1

About (4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone

(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 63391010) has the molecular formula C13H13ClF3NO and a molecular weight of 291.70 g/mol. Its IUPAC name is (4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID63391010
Molecular FormulaC13H13ClF3NO
Molecular Weight291.70 g/mol
Exact Mass291.06
IUPAC Name(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCC(Cl)CC1
InChIInChI=1S/C13H13ClF3NO/c14-9-5-7-18(8-6-9)12(19)10-3-1-2-4-11(10)13(15,16)17/h1-4,9H,5-8H2
InChIKeySPHZRLWYAYTHPF-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.70
LogP ≤ 53.55
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-(2-chlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32753291
(4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 86276608
[4-(1-chloroethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 106838854
1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
CID 24701821
1-[2-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63006620
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 108545273
(4-methylazepan-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 84581077
[(3R)-3-aminopyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119410283
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 55558490
(3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 51518671
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 172646296
[4-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 46096552

Frequently Asked Questions

What is the IUPAC name of (4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone (CID 63391010) is (4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)N1CCC(Cl)CC1.
What is the InChIKey of (4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is SPHZRLWYAYTHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3NO/c14-9-5-7-18(8-6-9)12(19)10-3-1-2-4-11(10)13(15,16)17/h1-4,9H,5-8H2.
What are the key properties of (4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone?
(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 291.70 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 63391010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).