N-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine

C12H16F3N3 — CID 20829962

IUPACN-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
SMILESCNC1CCN(c2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C12H16F3N3/c1-16-10-3-6-18(7-4-10)11-8-9(2-5-17-11)12(13,14)15/h2,5,8,10,16H,3-4,6-7H2,1H3
InChIKeyDEVWBICTTBMEEB-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.29
Rot. Bonds2

About N-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine

N-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine (PubChem CID 20829962) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
PubChem CID20829962
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC NameN-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
SMILESCNC1CCN(c2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C12H16F3N3/c1-16-10-3-6-18(7-4-10)11-8-9(2-5-17-11)12(13,14)15/h2,5,8,10,16H,3-4,6-7H2,1H3
InChIKeyDEVWBICTTBMEEB-UHFFFAOYSA-N
XLogP2.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The IUPAC name of N-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine (CID 20829962) is N-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The canonical SMILES for N-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine is CNC1CCN(c2cc(C(F)(F)F)ccn2)CC1.
What is the InChIKey of N-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The InChIKey is DEVWBICTTBMEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c1-16-10-3-6-18(7-4-10)11-8-9(2-5-17-11)12(13,14)15/h2,5,8,10,16H,3-4,6-7H2,1H3.
What are the key properties of N-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
N-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine has a molecular weight of 259.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 20829962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).