[2-(2-chloroethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone

C13H16ClFN2O — CID 113436394

IUPAC[2-(2-chloroethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
SMILESO=C(c1ccc(F)cn1)N1CCCCC1CCCl
InChIInChI=1S/C13H16ClFN2O/c14-7-6-11-3-1-2-8-17(11)13(18)12-5-4-10(15)9-16-12/h4-5,9,11H,1-3,6-8H2
InChIKeyHTQGLHMKYGHFCZ-UHFFFAOYSA-N
MW270.73 g/mol
LogP2.84
Rot. Bonds3

About [2-(2-chloroethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone

[2-(2-chloroethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone (PubChem CID 113436394) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is [2-(2-chloroethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(2-chloroethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
PubChem CID113436394
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC Name[2-(2-chloroethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
SMILESO=C(c1ccc(F)cn1)N1CCCCC1CCCl
InChIInChI=1S/C13H16ClFN2O/c14-7-6-11-3-1-2-8-17(11)13(18)12-5-4-10(15)9-16-12/h4-5,9,11H,1-3,6-8H2
InChIKeyHTQGLHMKYGHFCZ-UHFFFAOYSA-N
XLogP2.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(5-fluoropyridine-2-carbonyl)piperidin-2-yl]propanoic acid
CID 104638221
[2-(2-chloroethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 55187043
6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 43427369
(5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62958660
[2-(hydroxymethyl)piperidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone
CID 104640890
2-[2-(2-chloroethyl)piperidin-1-yl]-5-fluoropyridine
CID 63391998
[2-(2-chloroethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 63393828
[4-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 104643097
[2-(2-chloroethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
CID 63394055
[2-(2-chloroethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443059
1-[1-(5-chloropyridine-2-carbonyl)piperidin-2-yl]propan-2-one
CID 79549533
(5-amino-2-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633795

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone?
The IUPAC name of [2-(2-chloroethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone (CID 113436394) is [2-(2-chloroethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for [2-(2-chloroethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone?
The canonical SMILES for [2-(2-chloroethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone is O=C(c1ccc(F)cn1)N1CCCCC1CCCl.
What is the InChIKey of [2-(2-chloroethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone?
The InChIKey is HTQGLHMKYGHFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c14-7-6-11-3-1-2-8-17(11)13(18)12-5-4-10(15)9-16-12/h4-5,9,11H,1-3,6-8H2.
What are the key properties of [2-(2-chloroethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone?
[2-(2-chloroethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone has a molecular weight of 270.73 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 113436394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).