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

C13H17F3N2 — CID 114697103

IUPAC4-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESCC1(Nc2ccccc2C(F)(F)F)CCNCC1
InChIInChI=1S/C13H17F3N2/c1-12(6-8-17-9-7-12)18-11-5-3-2-4-10(11)13(14,15)16/h2-5,17-18H,6-9H2,1H3
InChIKeyJCMGKNRXXZWJER-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.26
Rot. Bonds2

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

4-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine (PubChem CID 114697103) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 4-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
PubChem CID114697103
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name4-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESCC1(Nc2ccccc2C(F)(F)F)CCNCC1
InChIInChI=1S/C13H17F3N2/c1-12(6-8-17-9-7-12)18-11-5-3-2-4-10(11)13(14,15)16/h2-5,17-18H,6-9H2,1H3
InChIKeyJCMGKNRXXZWJER-UHFFFAOYSA-N
XLogP3.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine?
The IUPAC name of 4-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine (CID 114697103) is 4-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine.
What is the SMILES notation for 4-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine?
The canonical SMILES for 4-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine is CC1(Nc2ccccc2C(F)(F)F)CCNCC1.
What is the InChIKey of 4-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine?
The InChIKey is JCMGKNRXXZWJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-12(6-8-17-9-7-12)18-11-5-3-2-4-10(11)13(14,15)16/h2-5,17-18H,6-9H2,1H3.
What are the key properties of 4-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine?
4-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine has a molecular weight of 258.29 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine is sourced from PubChem (CID 114697103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).