4-[(2,4-dimethylphenyl)-fluoromethyl]piperidine

C14H20FN — CID 112563629

IUPAC4-[(2,4-dimethylphenyl)-fluoromethyl]piperidine
SMILESCc1ccc(C(F)C2CCNCC2)c(C)c1
InChIInChI=1S/C14H20FN/c1-10-3-4-13(11(2)9-10)14(15)12-5-7-16-8-6-12/h3-4,9,12,14,16H,5-8H2,1-2H3
InChIKeyHWWCTNAKNUXJGK-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.31
Rot. Bonds2

About 4-[(2,4-dimethylphenyl)-fluoromethyl]piperidine

4-[(2,4-dimethylphenyl)-fluoromethyl]piperidine (PubChem CID 112563629) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-[(2,4-dimethylphenyl)-fluoromethyl]piperidine.

Molecular Properties

Compound Name4-[(2,4-dimethylphenyl)-fluoromethyl]piperidine
PubChem CID112563629
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name4-[(2,4-dimethylphenyl)-fluoromethyl]piperidine
SMILESCc1ccc(C(F)C2CCNCC2)c(C)c1
InChIInChI=1S/C14H20FN/c1-10-3-4-13(11(2)9-10)14(15)12-5-7-16-8-6-12/h3-4,9,12,14,16H,5-8H2,1-2H3
InChIKeyHWWCTNAKNUXJGK-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidine
CID 90039118
4-[1-(2,4-dimethylphenyl)ethoxy]piperidine
CID 82290263
1-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine
CID 95475271
1-[(1R)-1-(2,4-dimethylphenyl)-2,2-difluoroethyl]piperazine
CID 171282246
2-[(R)-amino(piperidin-4-yl)methyl]-5-methylphenol
CID 171314608
(R)-(4-fluoro-2-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314219
4-[(4-bromo-3-chloro-2-fluorophenyl)-fluoromethyl]piperidine
CID 106763888
4-[(R)-(2,5-difluorophenyl)-fluoromethyl]piperidine;hydrochloride
CID 90039406
N-[1-(2,4-dimethylphenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698904
(2,4-dimethylphenyl)-piperidin-3-ylmethanamine
CID 116935781
4-[(4-bromophenyl)-fluoromethyl]piperidine
CID 84730148
4-(5-methyl-2-propan-2-ylphenoxy)piperidine
CID 24708982

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylphenyl)-fluoromethyl]piperidine?
The IUPAC name of 4-[(2,4-dimethylphenyl)-fluoromethyl]piperidine (CID 112563629) is 4-[(2,4-dimethylphenyl)-fluoromethyl]piperidine.
What is the SMILES notation for 4-[(2,4-dimethylphenyl)-fluoromethyl]piperidine?
The canonical SMILES for 4-[(2,4-dimethylphenyl)-fluoromethyl]piperidine is Cc1ccc(C(F)C2CCNCC2)c(C)c1.
What is the InChIKey of 4-[(2,4-dimethylphenyl)-fluoromethyl]piperidine?
The InChIKey is HWWCTNAKNUXJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-10-3-4-13(11(2)9-10)14(15)12-5-7-16-8-6-12/h3-4,9,12,14,16H,5-8H2,1-2H3.
What are the key properties of 4-[(2,4-dimethylphenyl)-fluoromethyl]piperidine?
4-[(2,4-dimethylphenyl)-fluoromethyl]piperidine has a molecular weight of 221.32 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylphenyl)-fluoromethyl]piperidine is sourced from PubChem (CID 112563629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).