4-[difluoro-(2,4,6-trimethylphenyl)methyl]piperidine

C15H21F2N — CID 116838804

IUPAC4-[difluoro-(2,4,6-trimethylphenyl)methyl]piperidine
SMILESCc1cc(C)c(C(F)(F)C2CCNCC2)c(C)c1
InChIInChI=1S/C15H21F2N/c1-10-8-11(2)14(12(3)9-10)15(16,17)13-4-6-18-7-5-13/h8-9,13,18H,4-7H2,1-3H3
InChIKeyWHRYYUOXRZXEBN-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.70
Rot. Bonds2

About 4-[difluoro-(2,4,6-trimethylphenyl)methyl]piperidine

4-[difluoro-(2,4,6-trimethylphenyl)methyl]piperidine (PubChem CID 116838804) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-[difluoro-(2,4,6-trimethylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[difluoro-(2,4,6-trimethylphenyl)methyl]piperidine
PubChem CID116838804
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name4-[difluoro-(2,4,6-trimethylphenyl)methyl]piperidine
SMILESCc1cc(C)c(C(F)(F)C2CCNCC2)c(C)c1
InChIInChI=1S/C15H21F2N/c1-10-8-11(2)14(12(3)9-10)15(16,17)13-4-6-18-7-5-13/h8-9,13,18H,4-7H2,1-3H3
InChIKeyWHRYYUOXRZXEBN-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2,5-dimethylphenyl)-difluoromethyl]piperidine
CID 116838786
4-[1-fluoro-1-(4-methylphenyl)ethyl]piperidine
CID 84724889
3-[2,2-difluoro-2-(2,4,6-trimethylphenyl)ethyl]piperidine
CID 116840323
4-[1-fluoro-1-(3-methylphenyl)ethyl]piperidine
CID 84724888
1-piperidin-4-yl-1-(2,3,5,6-tetramethylphenyl)ethanol
CID 82302421
4-(2,3,5-trimethylphenyl)piperidine
CID 117292122
3-[difluoro-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyrrolidine
CID 116839100
3-[difluoro-(2-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 116838895
4-[difluoro-(4-methoxyphenyl)methyl]piperidine
CID 84728173
3-[(2,4-dimethylphenyl)-difluoromethyl]piperidine
CID 116838867
4-[difluoro-(4-methoxy-2,3-dimethylphenyl)methyl]piperidine
CID 116838820
3-(2,4,6-trimethylphenoxy)pyrrolidine
CID 83532626

Frequently Asked Questions

What is the IUPAC name of 4-[difluoro-(2,4,6-trimethylphenyl)methyl]piperidine?
The IUPAC name of 4-[difluoro-(2,4,6-trimethylphenyl)methyl]piperidine (CID 116838804) is 4-[difluoro-(2,4,6-trimethylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[difluoro-(2,4,6-trimethylphenyl)methyl]piperidine?
The canonical SMILES for 4-[difluoro-(2,4,6-trimethylphenyl)methyl]piperidine is Cc1cc(C)c(C(F)(F)C2CCNCC2)c(C)c1.
What is the InChIKey of 4-[difluoro-(2,4,6-trimethylphenyl)methyl]piperidine?
The InChIKey is WHRYYUOXRZXEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-10-8-11(2)14(12(3)9-10)15(16,17)13-4-6-18-7-5-13/h8-9,13,18H,4-7H2,1-3H3.
What are the key properties of 4-[difluoro-(2,4,6-trimethylphenyl)methyl]piperidine?
4-[difluoro-(2,4,6-trimethylphenyl)methyl]piperidine has a molecular weight of 253.34 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[difluoro-(2,4,6-trimethylphenyl)methyl]piperidine is sourced from PubChem (CID 116838804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).