N,1-dimethyl-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

C16H23F3N2 — CID 58563422

IUPACN,1-dimethyl-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESCc1ccc(CN(C)C2CCN(C)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C16H23F3N2/c1-12-4-5-13(15(10-12)16(17,18)19)11-21(3)14-6-8-20(2)9-7-14/h4-5,10,14H,6-9,11H2,1-3H3
InChIKeyWIEUJHLMVKAHLJ-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.54
Rot. Bonds3

About N,1-dimethyl-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

N,1-dimethyl-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (PubChem CID 58563422) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is N,1-dimethyl-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
PubChem CID58563422
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC NameN,1-dimethyl-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESCc1ccc(CN(C)C2CCN(C)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C16H23F3N2/c1-12-4-5-13(15(10-12)16(17,18)19)11-21(3)14-6-8-20(2)9-7-14/h4-5,10,14H,6-9,11H2,1-3H3
InChIKeyWIEUJHLMVKAHLJ-UHFFFAOYSA-N
XLogP3.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The IUPAC name of N,1-dimethyl-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (CID 58563422) is N,1-dimethyl-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is Cc1ccc(CN(C)C2CCN(C)CC2)c(C(F)(F)F)c1.
What is the InChIKey of N,1-dimethyl-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The InChIKey is WIEUJHLMVKAHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-12-4-5-13(15(10-12)16(17,18)19)11-21(3)14-6-8-20(2)9-7-14/h4-5,10,14H,6-9,11H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
N,1-dimethyl-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine has a molecular weight of 300.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 58563422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).