1-fluoro-2,4-dimethylbenzene;3-methylpiperidine

C14H22FN — CID 146172473

IUPAC1-fluoro-2,4-dimethylbenzene;3-methylpiperidine
SMILESCC1CCCNC1.Cc1ccc(F)c(C)c1
InChIInChI=1S/C8H9F.C6H13N/c1-6-3-4-8(9)7(2)5-6;1-6-3-2-4-7-5-6/h3-5H,1-2H3;6-7H,2-5H2,1H3
InChIKeyUQIIIRISBMPKKK-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.45
Rot. Bonds

About 1-fluoro-2,4-dimethylbenzene;3-methylpiperidine

1-fluoro-2,4-dimethylbenzene;3-methylpiperidine (PubChem CID 146172473) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-fluoro-2,4-dimethylbenzene;3-methylpiperidine.

Molecular Properties

Compound Name1-fluoro-2,4-dimethylbenzene;3-methylpiperidine
PubChem CID146172473
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name1-fluoro-2,4-dimethylbenzene;3-methylpiperidine
SMILESCC1CCCNC1.Cc1ccc(F)c(C)c1
InChIInChI=1S/C8H9F.C6H13N/c1-6-3-4-8(9)7(2)5-6;1-6-3-2-4-7-5-6/h3-5H,1-2H3;6-7H,2-5H2,1H3
InChIKeyUQIIIRISBMPKKK-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-5-methylphenyl)-1-piperidin-3-ylethanol
CID 63586093
3-(2,4-dimethylphenyl)piperidine
CID 10535662
ethane;1-fluoro-2,4-dimethylbenzene
CID 123541236
ethane;(3S)-3-methylpiperidine
CID 144634573
(4-fluoro-3-methylphenyl)-piperidin-3-ylmethanol
CID 79023931
3-[(2,4-dimethylphenyl)-difluoromethyl]piperidine
CID 116838867
methanamine;3-methylpiperidine
CID 178081150
ethane;3-methylpiperidine;hydrate
CID 142361877
N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 63643681
4-(2-fluoro-5-methylphenyl)azepane
CID 83262245
(3S)-3-(2,5-dimethylphenyl)piperidine
CID 92981749
4-fluoro-3-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 95031837

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,4-dimethylbenzene;3-methylpiperidine?
The IUPAC name of 1-fluoro-2,4-dimethylbenzene;3-methylpiperidine (CID 146172473) is 1-fluoro-2,4-dimethylbenzene;3-methylpiperidine.
What is the SMILES notation for 1-fluoro-2,4-dimethylbenzene;3-methylpiperidine?
The canonical SMILES for 1-fluoro-2,4-dimethylbenzene;3-methylpiperidine is CC1CCCNC1.Cc1ccc(F)c(C)c1.
What is the InChIKey of 1-fluoro-2,4-dimethylbenzene;3-methylpiperidine?
The InChIKey is UQIIIRISBMPKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F.C6H13N/c1-6-3-4-8(9)7(2)5-6;1-6-3-2-4-7-5-6/h3-5H,1-2H3;6-7H,2-5H2,1H3.
What are the key properties of 1-fluoro-2,4-dimethylbenzene;3-methylpiperidine?
1-fluoro-2,4-dimethylbenzene;3-methylpiperidine has a molecular weight of 223.34 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,4-dimethylbenzene;3-methylpiperidine is sourced from PubChem (CID 146172473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).