1-[2-(chloromethyl)-4-fluorophenyl]-4-methylpiperidine

C13H17ClFN — CID 43313490

IUPAC1-[2-(chloromethyl)-4-fluorophenyl]-4-methylpiperidine
SMILESCC1CCN(c2ccc(F)cc2CCl)CC1
InChIInChI=1S/C13H17ClFN/c1-10-4-6-16(7-5-10)13-3-2-12(15)8-11(13)9-14/h2-3,8,10H,4-7,9H2,1H3
InChIKeyZNEFUOPKLWCIGN-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.80
Rot. Bonds2

About 1-[2-(chloromethyl)-4-fluorophenyl]-4-methylpiperidine

1-[2-(chloromethyl)-4-fluorophenyl]-4-methylpiperidine (PubChem CID 43313490) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 1-[2-(chloromethyl)-4-fluorophenyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[2-(chloromethyl)-4-fluorophenyl]-4-methylpiperidine
PubChem CID43313490
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name1-[2-(chloromethyl)-4-fluorophenyl]-4-methylpiperidine
SMILESCC1CCN(c2ccc(F)cc2CCl)CC1
InChIInChI=1S/C13H17ClFN/c1-10-4-6-16(7-5-10)13-3-2-12(15)8-11(13)9-14/h2-3,8,10H,4-7,9H2,1H3
InChIKeyZNEFUOPKLWCIGN-UHFFFAOYSA-N
XLogP3.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)-4-fluorophenyl]-4-methylpiperidine?
The IUPAC name of 1-[2-(chloromethyl)-4-fluorophenyl]-4-methylpiperidine (CID 43313490) is 1-[2-(chloromethyl)-4-fluorophenyl]-4-methylpiperidine.
What is the SMILES notation for 1-[2-(chloromethyl)-4-fluorophenyl]-4-methylpiperidine?
The canonical SMILES for 1-[2-(chloromethyl)-4-fluorophenyl]-4-methylpiperidine is CC1CCN(c2ccc(F)cc2CCl)CC1.
What is the InChIKey of 1-[2-(chloromethyl)-4-fluorophenyl]-4-methylpiperidine?
The InChIKey is ZNEFUOPKLWCIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-10-4-6-16(7-5-10)13-3-2-12(15)8-11(13)9-14/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 1-[2-(chloromethyl)-4-fluorophenyl]-4-methylpiperidine?
1-[2-(chloromethyl)-4-fluorophenyl]-4-methylpiperidine has a molecular weight of 241.74 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)-4-fluorophenyl]-4-methylpiperidine is sourced from PubChem (CID 43313490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).