1-[4-(bromomethyl)-2,6-difluorophenyl]-4,4-diethylpiperidine

C16H22BrF2N — CID 107083250

IUPAC1-[4-(bromomethyl)-2,6-difluorophenyl]-4,4-diethylpiperidine
SMILESCCC1(CC)CCN(c2c(F)cc(CBr)cc2F)CC1
InChIInChI=1S/C16H22BrF2N/c1-3-16(4-2)5-7-20(8-6-16)15-13(18)9-12(11-17)10-14(15)19/h9-10H,3-8,11H2,1-2H3
InChIKeyWJOUUOWWMSBJJE-UHFFFAOYSA-N
MW346.26 g/mol
LogP5.27
Rot. Bonds4

About 1-[4-(bromomethyl)-2,6-difluorophenyl]-4,4-diethylpiperidine

1-[4-(bromomethyl)-2,6-difluorophenyl]-4,4-diethylpiperidine (PubChem CID 107083250) has the molecular formula C16H22BrF2N and a molecular weight of 346.26 g/mol. Its IUPAC name is 1-[4-(bromomethyl)-2,6-difluorophenyl]-4,4-diethylpiperidine.

Molecular Properties

Compound Name1-[4-(bromomethyl)-2,6-difluorophenyl]-4,4-diethylpiperidine
PubChem CID107083250
Molecular FormulaC16H22BrF2N
Molecular Weight346.26 g/mol
Exact Mass345.09
IUPAC Name1-[4-(bromomethyl)-2,6-difluorophenyl]-4,4-diethylpiperidine
SMILESCCC1(CC)CCN(c2c(F)cc(CBr)cc2F)CC1
InChIInChI=1S/C16H22BrF2N/c1-3-16(4-2)5-7-20(8-6-16)15-13(18)9-12(11-17)10-14(15)19/h9-10H,3-8,11H2,1-2H3
InChIKeyWJOUUOWWMSBJJE-UHFFFAOYSA-N
XLogP5.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.26
LogP ≤ 55.27
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-[4-(bromomethyl)-2,6-difluorophenyl]-4,4-diethylpiperidine?
The IUPAC name of 1-[4-(bromomethyl)-2,6-difluorophenyl]-4,4-diethylpiperidine (CID 107083250) is 1-[4-(bromomethyl)-2,6-difluorophenyl]-4,4-diethylpiperidine.
What is the SMILES notation for 1-[4-(bromomethyl)-2,6-difluorophenyl]-4,4-diethylpiperidine?
The canonical SMILES for 1-[4-(bromomethyl)-2,6-difluorophenyl]-4,4-diethylpiperidine is CCC1(CC)CCN(c2c(F)cc(CBr)cc2F)CC1.
What is the InChIKey of 1-[4-(bromomethyl)-2,6-difluorophenyl]-4,4-diethylpiperidine?
The InChIKey is WJOUUOWWMSBJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrF2N/c1-3-16(4-2)5-7-20(8-6-16)15-13(18)9-12(11-17)10-14(15)19/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 1-[4-(bromomethyl)-2,6-difluorophenyl]-4,4-diethylpiperidine?
1-[4-(bromomethyl)-2,6-difluorophenyl]-4,4-diethylpiperidine has a molecular weight of 346.26 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)-2,6-difluorophenyl]-4,4-diethylpiperidine is sourced from PubChem (CID 107083250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).