4-(2-fluoro-5-methylphenyl)-3-(2-methylpropyl)piperidine

C16H24FN — CID 114055081

IUPAC4-(2-fluoro-5-methylphenyl)-3-(2-methylpropyl)piperidine
SMILESCc1ccc(F)c(C2CCNCC2CC(C)C)c1
InChIInChI=1S/C16H24FN/c1-11(2)8-13-10-18-7-6-14(13)15-9-12(3)4-5-16(15)17/h4-5,9,11,13-14,18H,6-8,10H2,1-3H3
InChIKeySZOITOQSTYWPRA-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.87
Rot. Bonds3

About 4-(2-fluoro-5-methylphenyl)-3-(2-methylpropyl)piperidine

4-(2-fluoro-5-methylphenyl)-3-(2-methylpropyl)piperidine (PubChem CID 114055081) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 4-(2-fluoro-5-methylphenyl)-3-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name4-(2-fluoro-5-methylphenyl)-3-(2-methylpropyl)piperidine
PubChem CID114055081
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name4-(2-fluoro-5-methylphenyl)-3-(2-methylpropyl)piperidine
SMILESCc1ccc(F)c(C2CCNCC2CC(C)C)c1
InChIInChI=1S/C16H24FN/c1-11(2)8-13-10-18-7-6-14(13)15-9-12(3)4-5-16(15)17/h4-5,9,11,13-14,18H,6-8,10H2,1-3H3
InChIKeySZOITOQSTYWPRA-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-methylphenyl)-3-(2-methylpropyl)piperidine
CID 79320999
4-(3-fluorophenyl)-3-(2-methylpropyl)piperidine
CID 79321584
4-(2,5-difluorophenyl)-3-ethylpiperidine
CID 79320741
4-(3-cyclopropylphenyl)-3-(2-methylpropyl)piperidine
CID 79978067
N-[[2-(2-fluoro-5-methylphenyl)cyclobutyl]methyl]propan-2-amine
CID 81018045
4-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)piperidine
CID 79321574
4-(3-bromophenyl)-3-(2-methylpropyl)piperidine
CID 79321198
(2R)-2-(2-fluoro-5-methylphenyl)azetidine;hydrochloride
CID 171197239
(3S,4S)-3-(2-methylpropyl)piperidin-4-ol
CID 93495959
(3R,4R)-3-(2-methylpropyl)piperidin-4-ol
CID 93495960
8-[3-(2-methylpropyl)piperidin-4-yl]isoquinoline
CID 138572820
ethane;3-(2-methylpropyl)piperidin-4-ol
CID 143575873

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methylphenyl)-3-(2-methylpropyl)piperidine?
The IUPAC name of 4-(2-fluoro-5-methylphenyl)-3-(2-methylpropyl)piperidine (CID 114055081) is 4-(2-fluoro-5-methylphenyl)-3-(2-methylpropyl)piperidine.
What is the SMILES notation for 4-(2-fluoro-5-methylphenyl)-3-(2-methylpropyl)piperidine?
The canonical SMILES for 4-(2-fluoro-5-methylphenyl)-3-(2-methylpropyl)piperidine is Cc1ccc(F)c(C2CCNCC2CC(C)C)c1.
What is the InChIKey of 4-(2-fluoro-5-methylphenyl)-3-(2-methylpropyl)piperidine?
The InChIKey is SZOITOQSTYWPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-11(2)8-13-10-18-7-6-14(13)15-9-12(3)4-5-16(15)17/h4-5,9,11,13-14,18H,6-8,10H2,1-3H3.
What are the key properties of 4-(2-fluoro-5-methylphenyl)-3-(2-methylpropyl)piperidine?
4-(2-fluoro-5-methylphenyl)-3-(2-methylpropyl)piperidine has a molecular weight of 249.37 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methylphenyl)-3-(2-methylpropyl)piperidine is sourced from PubChem (CID 114055081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).