[4-(1-chloroethyl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone

C15H19ClFNO — CID 106838877

IUPAC[4-(1-chloroethyl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(C(C)Cl)CC2)cc1F
InChIInChI=1S/C15H19ClFNO/c1-10-3-4-13(9-14(10)17)15(19)18-7-5-12(6-8-18)11(2)16/h3-4,9,11-12H,5-8H2,1-2H3
InChIKeyJPUNGAJQNDTXMJ-UHFFFAOYSA-N
MW283.77 g/mol
LogP3.61
Rot. Bonds2

About [4-(1-chloroethyl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone

[4-(1-chloroethyl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone (PubChem CID 106838877) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is [4-(1-chloroethyl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(1-chloroethyl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
PubChem CID106838877
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC Name[4-(1-chloroethyl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(C(C)Cl)CC2)cc1F
InChIInChI=1S/C15H19ClFNO/c1-10-3-4-13(9-14(10)17)15(19)18-7-5-12(6-8-18)11(2)16/h3-4,9,11-12H,5-8H2,1-2H3
InChIKeyJPUNGAJQNDTXMJ-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 53.61
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-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119374600
[4-(1-chloroethyl)piperidin-1-yl]-(3,4-dihydroxyphenyl)methanone
CID 107729122
(3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262037
[4-(1-chloroethyl)piperidin-1-yl]-(3-chloro-4-iodophenyl)methanone
CID 106838833
[4-(1-chloroethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 106838914
[4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 106839026
(3-fluoro-4-methylphenyl)-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121165031
[4-(1-aminoethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone;hydrochloride
CID 119519504
[4-(1-chloroethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107673269
(3-chloropiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 63393138
[4-(1-chloroethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 106839086
[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38491417

Frequently Asked Questions

What is the IUPAC name of [4-(1-chloroethyl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone?
The IUPAC name of [4-(1-chloroethyl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone (CID 106838877) is [4-(1-chloroethyl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for [4-(1-chloroethyl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone?
The canonical SMILES for [4-(1-chloroethyl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCC(C(C)Cl)CC2)cc1F.
What is the InChIKey of [4-(1-chloroethyl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone?
The InChIKey is JPUNGAJQNDTXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c1-10-3-4-13(9-14(10)17)15(19)18-7-5-12(6-8-18)11(2)16/h3-4,9,11-12H,5-8H2,1-2H3.
What are the key properties of [4-(1-chloroethyl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone?
[4-(1-chloroethyl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone has a molecular weight of 283.77 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-chloroethyl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 106838877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).