[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanamine

C12H16F3N3 — CID 18678709

IUPAC[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanamine
SMILESNCC1CCN(c2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C12H16F3N3/c13-12(14,15)10-1-4-17-11(7-10)18-5-2-9(8-16)3-6-18/h1,4,7,9H,2-3,5-6,8,16H2
InChIKeyHCZXJGWHGXGUQR-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.28
Rot. Bonds2

About [1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanamine

[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanamine (PubChem CID 18678709) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is [1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanamine
PubChem CID18678709
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC Name[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanamine
SMILESNCC1CCN(c2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C12H16F3N3/c13-12(14,15)10-1-4-17-11(7-10)18-5-2-9(8-16)3-6-18/h1,4,7,9H,2-3,5-6,8,16H2
InChIKeyHCZXJGWHGXGUQR-UHFFFAOYSA-N
XLogP2.28
TPSA42.15 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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanamine (CID 18678709) is [1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanamine is NCC1CCN(c2cc(C(F)(F)F)ccn2)CC1.
What is the InChIKey of [1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanamine?
The InChIKey is HCZXJGWHGXGUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c13-12(14,15)10-1-4-17-11(7-10)18-5-2-9(8-16)3-6-18/h1,4,7,9H,2-3,5-6,8,16H2.
What are the key properties of [1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanamine?
[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanamine has a molecular weight of 259.27 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 18678709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).