[2-(2-chloroethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone

C15H19ClFNO — CID 63393830

IUPAC[2-(2-chloroethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCCCC2CCCl)ccc1F
InChIInChI=1S/C15H19ClFNO/c1-11-10-12(5-6-14(11)17)15(19)18-9-3-2-4-13(18)7-8-16/h5-6,10,13H,2-4,7-9H2,1H3
InChIKeyDSKKAKKANSEWMZ-UHFFFAOYSA-N
MW283.77 g/mol
LogP3.76
Rot. Bonds3

About [2-(2-chloroethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone

[2-(2-chloroethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone (PubChem CID 63393830) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is [2-(2-chloroethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(2-chloroethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
PubChem CID63393830
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC Name[2-(2-chloroethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCCCC2CCCl)ccc1F
InChIInChI=1S/C15H19ClFNO/c1-11-10-12(5-6-14(11)17)15(19)18-9-3-2-4-13(18)7-8-16/h5-6,10,13H,2-4,7-9H2,1H3
InChIKeyDSKKAKKANSEWMZ-UHFFFAOYSA-N
XLogP3.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 53.76
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

3-[(2R)-1-(4-fluoro-3-methylbenzoyl)piperidin-2-yl]propanoic acid
CID 129369081
(4-fluoro-3-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 79539952
[2-(2-chloroethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 63393828
[2-(2-chloroethyl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 55186852
[2-(2-chloroethyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 55187614
[2-(2-chloroethyl)piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63393532
(4-chloro-3-methylphenyl)-[2-(3-chloropropyl)pyrrolidin-1-yl]methanone
CID 113397336
(3-bromophenyl)-[2-(2-chloroethyl)piperidin-1-yl]methanone
CID 63393628
3-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propanoic acid
CID 62216098
(3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96575750
(3-bromo-4-fluorophenyl)-[2-(chloromethyl)azepan-1-yl]methanone
CID 107956864
(4-chloro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 113351034

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone?
The IUPAC name of [2-(2-chloroethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone (CID 63393830) is [2-(2-chloroethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for [2-(2-chloroethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone?
The canonical SMILES for [2-(2-chloroethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone is Cc1cc(C(=O)N2CCCCC2CCCl)ccc1F.
What is the InChIKey of [2-(2-chloroethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone?
The InChIKey is DSKKAKKANSEWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c1-11-10-12(5-6-14(11)17)15(19)18-9-3-2-4-13(18)7-8-16/h5-6,10,13H,2-4,7-9H2,1H3.
What are the key properties of [2-(2-chloroethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone?
[2-(2-chloroethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone has a molecular weight of 283.77 g/mol, XLogP of 3.76, 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]-(4-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 63393830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).