4-[(2-fluorophenyl)methyl]-4-methyl-3-propan-2-ylpiperidine

C16H24FN — CID 114835125

IUPAC4-[(2-fluorophenyl)methyl]-4-methyl-3-propan-2-ylpiperidine
SMILESCC(C)C1CNCCC1(C)Cc1ccccc1F
InChIInChI=1S/C16H24FN/c1-12(2)14-11-18-9-8-16(14,3)10-13-6-4-5-7-15(13)17/h4-7,12,14,18H,8-11H2,1-3H3
InChIKeyVPBSXCOMFBJBCX-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.64
Rot. Bonds3

About 4-[(2-fluorophenyl)methyl]-4-methyl-3-propan-2-ylpiperidine

4-[(2-fluorophenyl)methyl]-4-methyl-3-propan-2-ylpiperidine (PubChem CID 114835125) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-4-methyl-3-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-4-methyl-3-propan-2-ylpiperidine
PubChem CID114835125
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name4-[(2-fluorophenyl)methyl]-4-methyl-3-propan-2-ylpiperidine
SMILESCC(C)C1CNCCC1(C)Cc1ccccc1F
InChIInChI=1S/C16H24FN/c1-12(2)14-11-18-9-8-16(14,3)10-13-6-4-5-7-15(13)17/h4-7,12,14,18H,8-11H2,1-3H3
InChIKeyVPBSXCOMFBJBCX-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-4-methyl-3-propan-2-ylpiperidine?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-4-methyl-3-propan-2-ylpiperidine (CID 114835125) is 4-[(2-fluorophenyl)methyl]-4-methyl-3-propan-2-ylpiperidine.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-4-methyl-3-propan-2-ylpiperidine?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-4-methyl-3-propan-2-ylpiperidine is CC(C)C1CNCCC1(C)Cc1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-4-methyl-3-propan-2-ylpiperidine?
The InChIKey is VPBSXCOMFBJBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-12(2)14-11-18-9-8-16(14,3)10-13-6-4-5-7-15(13)17/h4-7,12,14,18H,8-11H2,1-3H3.
What are the key properties of 4-[(2-fluorophenyl)methyl]-4-methyl-3-propan-2-ylpiperidine?
4-[(2-fluorophenyl)methyl]-4-methyl-3-propan-2-ylpiperidine has a molecular weight of 249.37 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-4-methyl-3-propan-2-ylpiperidine is sourced from PubChem (CID 114835125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).