4-[2-fluoro-2-(4-methylphenyl)ethyl]piperidine

C14H20FN — CID 105478233

IUPAC4-[2-fluoro-2-(4-methylphenyl)ethyl]piperidine
SMILESCc1ccc(C(F)CC2CCNCC2)cc1
InChIInChI=1S/C14H20FN/c1-11-2-4-13(5-3-11)14(15)10-12-6-8-16-9-7-12/h2-5,12,14,16H,6-10H2,1H3
InChIKeyTWSVFBXKPIRRQJ-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.40
Rot. Bonds3

About 4-[2-fluoro-2-(4-methylphenyl)ethyl]piperidine

4-[2-fluoro-2-(4-methylphenyl)ethyl]piperidine (PubChem CID 105478233) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-[2-fluoro-2-(4-methylphenyl)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-fluoro-2-(4-methylphenyl)ethyl]piperidine
PubChem CID105478233
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name4-[2-fluoro-2-(4-methylphenyl)ethyl]piperidine
SMILESCc1ccc(C(F)CC2CCNCC2)cc1
InChIInChI=1S/C14H20FN/c1-11-2-4-13(5-3-11)14(15)10-12-6-8-16-9-7-12/h2-5,12,14,16H,6-10H2,1H3
InChIKeyTWSVFBXKPIRRQJ-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-fluoro-2-piperidin-4-ylethyl)phenol
CID 105480837
N-methyl-1-(4-methylphenyl)-2-piperidin-4-ylethanamine
CID 116951785
3-[2-(4-chlorophenyl)-2-fluoroethyl]pyrrolidine
CID 105485073
3-[2-(4-methylphenyl)propyl]pyrrolidine
CID 83908593
1-(4-methylphenoxy)-3-piperidin-4-ylpropan-2-ol
CID 135249199
N,N-dimethyl-1-(4-methylphenyl)-2-pyrrolidin-3-ylethanamine
CID 116906713
2-cyclopropyl-1-(4-methylphenyl)ethanamine
CID 22649613
4-[[4-(difluoromethyl)phenyl]methyl]piperidine
CID 84689877
2-[fluoro-(4-methylphenyl)methyl]azetidine
CID 105438220
4-[(2,4-dimethylphenyl)-fluoromethyl]piperidine
CID 112563629
1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
CID 116906876
1-(4-methoxyphenyl)-2-piperidin-4-ylethanol
CID 84698858

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-2-(4-methylphenyl)ethyl]piperidine?
The IUPAC name of 4-[2-fluoro-2-(4-methylphenyl)ethyl]piperidine (CID 105478233) is 4-[2-fluoro-2-(4-methylphenyl)ethyl]piperidine.
What is the SMILES notation for 4-[2-fluoro-2-(4-methylphenyl)ethyl]piperidine?
The canonical SMILES for 4-[2-fluoro-2-(4-methylphenyl)ethyl]piperidine is Cc1ccc(C(F)CC2CCNCC2)cc1.
What is the InChIKey of 4-[2-fluoro-2-(4-methylphenyl)ethyl]piperidine?
The InChIKey is TWSVFBXKPIRRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-11-2-4-13(5-3-11)14(15)10-12-6-8-16-9-7-12/h2-5,12,14,16H,6-10H2,1H3.
What are the key properties of 4-[2-fluoro-2-(4-methylphenyl)ethyl]piperidine?
4-[2-fluoro-2-(4-methylphenyl)ethyl]piperidine has a molecular weight of 221.32 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-2-(4-methylphenyl)ethyl]piperidine is sourced from PubChem (CID 105478233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).