3-[difluoro-(2-methoxy-3,5-dimethylphenyl)methyl]piperidine

C15H21F2NO — CID 116838895

IUPAC3-[difluoro-(2-methoxy-3,5-dimethylphenyl)methyl]piperidine
SMILESCOc1c(C)cc(C)cc1C(F)(F)C1CCCNC1
InChIInChI=1S/C15H21F2NO/c1-10-7-11(2)14(19-3)13(8-10)15(16,17)12-5-4-6-18-9-12/h7-8,12,18H,4-6,9H2,1-3H3
InChIKeyRSSPWWRKUYGHCX-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.40
Rot. Bonds3

About 3-[difluoro-(2-methoxy-3,5-dimethylphenyl)methyl]piperidine

3-[difluoro-(2-methoxy-3,5-dimethylphenyl)methyl]piperidine (PubChem CID 116838895) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-[difluoro-(2-methoxy-3,5-dimethylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[difluoro-(2-methoxy-3,5-dimethylphenyl)methyl]piperidine
PubChem CID116838895
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name3-[difluoro-(2-methoxy-3,5-dimethylphenyl)methyl]piperidine
SMILESCOc1c(C)cc(C)cc1C(F)(F)C1CCCNC1
InChIInChI=1S/C15H21F2NO/c1-10-7-11(2)14(19-3)13(8-10)15(16,17)12-5-4-6-18-9-12/h7-8,12,18H,4-6,9H2,1-3H3
InChIKeyRSSPWWRKUYGHCX-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-[difluoro-(4-methoxy-2,5-dimethylphenyl)methyl]piperidine
CID 116838879
3-[(2,4-dimethylphenyl)-difluoromethyl]piperidine
CID 116838867
3-[difluoro-(2-methylphenyl)methyl]piperidine
CID 84725689
3-[difluoro-(2-methoxyphenyl)methyl]piperidine
CID 84728168
5-chloro-1-[cyclopropyl(difluoro)methyl]-2-methoxy-3-methylbenzene
CID 116841694
3-[1-(3,5-dimethylphenyl)-1-fluoroethyl]piperidine
CID 112564951
1-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 116951284
1-(4-methoxy-2,5-dimethylphenyl)-1-piperidin-3-ylethanol
CID 82303353
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
3-[(3-fluoro-2-methoxy-5-methylphenyl)methyl]piperidine
CID 84798655
3-[(5-chloro-2-methoxyphenyl)-difluoromethyl]pyrrolidine
CID 116839056
3-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 84798660

Frequently Asked Questions

What is the IUPAC name of 3-[difluoro-(2-methoxy-3,5-dimethylphenyl)methyl]piperidine?
The IUPAC name of 3-[difluoro-(2-methoxy-3,5-dimethylphenyl)methyl]piperidine (CID 116838895) is 3-[difluoro-(2-methoxy-3,5-dimethylphenyl)methyl]piperidine.
What is the SMILES notation for 3-[difluoro-(2-methoxy-3,5-dimethylphenyl)methyl]piperidine?
The canonical SMILES for 3-[difluoro-(2-methoxy-3,5-dimethylphenyl)methyl]piperidine is COc1c(C)cc(C)cc1C(F)(F)C1CCCNC1.
What is the InChIKey of 3-[difluoro-(2-methoxy-3,5-dimethylphenyl)methyl]piperidine?
The InChIKey is RSSPWWRKUYGHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-10-7-11(2)14(19-3)13(8-10)15(16,17)12-5-4-6-18-9-12/h7-8,12,18H,4-6,9H2,1-3H3.
What are the key properties of 3-[difluoro-(2-methoxy-3,5-dimethylphenyl)methyl]piperidine?
3-[difluoro-(2-methoxy-3,5-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 3-[difluoro-(2-methoxy-3,5-dimethylphenyl)methyl]piperidine is sourced from PubChem (CID 116838895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).