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

C12H14ClFN2O — CID 104643097

IUPAC[4-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
SMILESO=C(c1ccc(F)cn1)N1CCC(CCl)CC1
InChIInChI=1S/C12H14ClFN2O/c13-7-9-3-5-16(6-4-9)12(17)11-2-1-10(14)8-15-11/h1-2,8-9H,3-7H2
InChIKeyPNGIKMOIVIKMPE-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.31
Rot. Bonds2

About [4-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone

[4-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone (PubChem CID 104643097) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is [4-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
PubChem CID104643097
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC Name[4-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
SMILESO=C(c1ccc(F)cn1)N1CCC(CCl)CC1
InChIInChI=1S/C12H14ClFN2O/c13-7-9-3-5-16(6-4-9)12(17)11-2-1-10(14)8-15-11/h1-2,8-9H,3-7H2
InChIKeyPNGIKMOIVIKMPE-UHFFFAOYSA-N
XLogP2.31
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.31
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

1-(5-fluoropyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 113435785
[4-(1-bromoethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 106839149
(5-fluoro-2-pyridinyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 104637888
(3-chloropiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone
CID 104643088
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 102983529
[4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63398395
(3-bromo-4-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone
CID 102961974
[4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63398231
[2-(2-chloroethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 113436394
N-cyclopropyl-1-[1-(5-fluoropyridine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56918441
[4-(chloromethyl)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 164663089
1-(5-fluoropyridine-2-carbonyl)piperidine-3-carbonitrile
CID 104638536

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone?
The IUPAC name of [4-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone (CID 104643097) is [4-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for [4-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone?
The canonical SMILES for [4-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone is O=C(c1ccc(F)cn1)N1CCC(CCl)CC1.
What is the InChIKey of [4-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone?
The InChIKey is PNGIKMOIVIKMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c13-7-9-3-5-16(6-4-9)12(17)11-2-1-10(14)8-15-11/h1-2,8-9H,3-7H2.
What are the key properties of [4-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone?
[4-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone has a molecular weight of 256.71 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 104643097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).