1-methyl-4-(2,3,4-trifluoro-5,6-dimethylphenyl)piperidine

C14H18F3N — CID 142507692

IUPAC1-methyl-4-(2,3,4-trifluoro-5,6-dimethylphenyl)piperidine
SMILESCc1c(C)c(C2CCN(C)CC2)c(F)c(F)c1F
InChIInChI=1S/C14H18F3N/c1-8-9(2)12(15)14(17)13(16)11(8)10-4-6-18(3)7-5-10/h10H,4-7H2,1-3H3
InChIKeyNOUNPPGZCKCMPF-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.53
Rot. Bonds1

About 1-methyl-4-(2,3,4-trifluoro-5,6-dimethylphenyl)piperidine

1-methyl-4-(2,3,4-trifluoro-5,6-dimethylphenyl)piperidine (PubChem CID 142507692) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-methyl-4-(2,3,4-trifluoro-5,6-dimethylphenyl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(2,3,4-trifluoro-5,6-dimethylphenyl)piperidine
PubChem CID142507692
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name1-methyl-4-(2,3,4-trifluoro-5,6-dimethylphenyl)piperidine
SMILESCc1c(C)c(C2CCN(C)CC2)c(F)c(F)c1F
InChIInChI=1S/C14H18F3N/c1-8-9(2)12(15)14(17)13(16)11(8)10-4-6-18(3)7-5-10/h10H,4-7H2,1-3H3
InChIKeyNOUNPPGZCKCMPF-UHFFFAOYSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2,3,4-trifluoro-5,6-dimethylphenyl)piperidine?
The IUPAC name of 1-methyl-4-(2,3,4-trifluoro-5,6-dimethylphenyl)piperidine (CID 142507692) is 1-methyl-4-(2,3,4-trifluoro-5,6-dimethylphenyl)piperidine.
What is the SMILES notation for 1-methyl-4-(2,3,4-trifluoro-5,6-dimethylphenyl)piperidine?
The canonical SMILES for 1-methyl-4-(2,3,4-trifluoro-5,6-dimethylphenyl)piperidine is Cc1c(C)c(C2CCN(C)CC2)c(F)c(F)c1F.
What is the InChIKey of 1-methyl-4-(2,3,4-trifluoro-5,6-dimethylphenyl)piperidine?
The InChIKey is NOUNPPGZCKCMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-8-9(2)12(15)14(17)13(16)11(8)10-4-6-18(3)7-5-10/h10H,4-7H2,1-3H3.
What are the key properties of 1-methyl-4-(2,3,4-trifluoro-5,6-dimethylphenyl)piperidine?
1-methyl-4-(2,3,4-trifluoro-5,6-dimethylphenyl)piperidine has a molecular weight of 257.30 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2,3,4-trifluoro-5,6-dimethylphenyl)piperidine is sourced from PubChem (CID 142507692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).