1-[3-(3-fluoro-4-methylphenyl)-2-methylpropyl]piperidine

C16H24FN — CID 135225472

IUPAC1-[3-(3-fluoro-4-methylphenyl)-2-methylpropyl]piperidine
SMILESCc1ccc(CC(C)CN2CCCCC2)cc1F
InChIInChI=1S/C16H24FN/c1-13(12-18-8-4-3-5-9-18)10-15-7-6-14(2)16(17)11-15/h6-7,11,13H,3-5,8-10,12H2,1-2H3
InChIKeyASSYNODMAQTGTQ-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.80
Rot. Bonds4

About 1-[3-(3-fluoro-4-methylphenyl)-2-methylpropyl]piperidine

1-[3-(3-fluoro-4-methylphenyl)-2-methylpropyl]piperidine (PubChem CID 135225472) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 1-[3-(3-fluoro-4-methylphenyl)-2-methylpropyl]piperidine.

Molecular Properties

Compound Name1-[3-(3-fluoro-4-methylphenyl)-2-methylpropyl]piperidine
PubChem CID135225472
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name1-[3-(3-fluoro-4-methylphenyl)-2-methylpropyl]piperidine
SMILESCc1ccc(CC(C)CN2CCCCC2)cc1F
InChIInChI=1S/C16H24FN/c1-13(12-18-8-4-3-5-9-18)10-15-7-6-14(2)16(17)11-15/h6-7,11,13H,3-5,8-10,12H2,1-2H3
InChIKeyASSYNODMAQTGTQ-UHFFFAOYSA-N
XLogP3.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 63646067
2-methyl-4-(2-methyl-3-pyrrolidin-1-ylpropyl)phenol
CID 143865960
1-[3-(4-ethylphenyl)-2-methylpropyl]piperidine
CID 139561533
3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol
CID 107129475
1-[3-(3,4-dimethylphenyl)-2-methylpropyl]piperazine
CID 82118543
1-[(3-fluoro-4-methylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110885348
1-[3-(3-ethoxy-4-methoxyphenyl)-2-methylpropyl]piperidine
CID 135225295
N-[(4-fluoro-3-methylphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 62121470
dimethyl-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]-phenylsilane
CID 13292194
2-methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propan-1-ol
CID 139596448
1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[(3-fluoro-4-methylphenyl)methyl]-2-methylguanidine
CID 111847307
N-[(4-bromo-3-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 81002797

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluoro-4-methylphenyl)-2-methylpropyl]piperidine?
The IUPAC name of 1-[3-(3-fluoro-4-methylphenyl)-2-methylpropyl]piperidine (CID 135225472) is 1-[3-(3-fluoro-4-methylphenyl)-2-methylpropyl]piperidine.
What is the SMILES notation for 1-[3-(3-fluoro-4-methylphenyl)-2-methylpropyl]piperidine?
The canonical SMILES for 1-[3-(3-fluoro-4-methylphenyl)-2-methylpropyl]piperidine is Cc1ccc(CC(C)CN2CCCCC2)cc1F.
What is the InChIKey of 1-[3-(3-fluoro-4-methylphenyl)-2-methylpropyl]piperidine?
The InChIKey is ASSYNODMAQTGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-13(12-18-8-4-3-5-9-18)10-15-7-6-14(2)16(17)11-15/h6-7,11,13H,3-5,8-10,12H2,1-2H3.
What are the key properties of 1-[3-(3-fluoro-4-methylphenyl)-2-methylpropyl]piperidine?
1-[3-(3-fluoro-4-methylphenyl)-2-methylpropyl]piperidine has a molecular weight of 249.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluoro-4-methylphenyl)-2-methylpropyl]piperidine is sourced from PubChem (CID 135225472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).