4-[difluoro-(4-methoxy-2,3-dimethylphenyl)methyl]piperidine

C15H21F2NO — CID 116838820

IUPAC4-[difluoro-(4-methoxy-2,3-dimethylphenyl)methyl]piperidine
SMILESCOc1ccc(C(F)(F)C2CCNCC2)c(C)c1C
InChIInChI=1S/C15H21F2NO/c1-10-11(2)14(19-3)5-4-13(10)15(16,17)12-6-8-18-9-7-12/h4-5,12,18H,6-9H2,1-3H3
InChIKeyUMWQBTLYLXEROQ-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.40
Rot. Bonds3

About 4-[difluoro-(4-methoxy-2,3-dimethylphenyl)methyl]piperidine

4-[difluoro-(4-methoxy-2,3-dimethylphenyl)methyl]piperidine (PubChem CID 116838820) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-[difluoro-(4-methoxy-2,3-dimethylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[difluoro-(4-methoxy-2,3-dimethylphenyl)methyl]piperidine
PubChem CID116838820
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name4-[difluoro-(4-methoxy-2,3-dimethylphenyl)methyl]piperidine
SMILESCOc1ccc(C(F)(F)C2CCNCC2)c(C)c1C
InChIInChI=1S/C15H21F2NO/c1-10-11(2)14(19-3)5-4-13(10)15(16,17)12-6-8-18-9-7-12/h4-5,12,18H,6-9H2,1-3H3
InChIKeyUMWQBTLYLXEROQ-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-chloro-2-methoxyphenyl)-difluoromethyl]pyrrolidine
CID 116839056
4-[(2,5-dimethylphenyl)-difluoromethyl]piperidine
CID 116838786
2-[cyclopropyl(difluoro)methyl]-1-methoxy-4-methylbenzene
CID 116841637
4-[difluoro-(4-methoxyphenyl)methyl]piperidine
CID 84728173
1-[cyclopropyl(difluoro)methyl]-2,3,4-trimethylbenzene
CID 116841761
4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidine
CID 116925692
1-(1,1-difluoropropyl)-4-methoxy-2,3-dimethylbenzene
CID 116841280
4-(2,4-dimethoxy-3-methylphenyl)azepane
CID 82297126
3-[difluoro-(2-methoxyphenyl)methyl]piperidine
CID 84728168
1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-4-ylethanamine
CID 116936485
1-(2,4-dimethoxyphenyl)-1-piperidin-4-ylethanol
CID 82304157
4,4-difluoro-4-(4-methoxy-2,3-dimethylphenyl)butanoic acid
CID 116838454

Frequently Asked Questions

What is the IUPAC name of 4-[difluoro-(4-methoxy-2,3-dimethylphenyl)methyl]piperidine?
The IUPAC name of 4-[difluoro-(4-methoxy-2,3-dimethylphenyl)methyl]piperidine (CID 116838820) is 4-[difluoro-(4-methoxy-2,3-dimethylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[difluoro-(4-methoxy-2,3-dimethylphenyl)methyl]piperidine?
The canonical SMILES for 4-[difluoro-(4-methoxy-2,3-dimethylphenyl)methyl]piperidine is COc1ccc(C(F)(F)C2CCNCC2)c(C)c1C.
What is the InChIKey of 4-[difluoro-(4-methoxy-2,3-dimethylphenyl)methyl]piperidine?
The InChIKey is UMWQBTLYLXEROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-10-11(2)14(19-3)5-4-13(10)15(16,17)12-6-8-18-9-7-12/h4-5,12,18H,6-9H2,1-3H3.
What are the key properties of 4-[difluoro-(4-methoxy-2,3-dimethylphenyl)methyl]piperidine?
4-[difluoro-(4-methoxy-2,3-dimethylphenyl)methyl]piperidine has a molecular weight of 269.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[difluoro-(4-methoxy-2,3-dimethylphenyl)methyl]piperidine is sourced from PubChem (CID 116838820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).