1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine

C11H13ClF3N3 — CID 2796185

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
SMILESNC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C11H13ClF3N3/c12-9-5-7(11(13,14)15)6-17-10(9)18-3-1-8(16)2-4-18/h5-6,8H,1-4,16H2
InChIKeyKTVCRQQSDOZEPA-UHFFFAOYSA-N
MW279.69 g/mol
LogP2.68
Rot. Bonds1

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine (PubChem CID 2796185) has the molecular formula C11H13ClF3N3 and a molecular weight of 279.69 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
PubChem CID2796185
Molecular FormulaC11H13ClF3N3
Molecular Weight279.69 g/mol
Exact Mass279.08
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
SMILESNC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C11H13ClF3N3/c12-9-5-7(11(13,14)15)6-17-10(9)18-3-1-8(16)2-4-18/h5-6,8H,1-4,16H2
InChIKeyKTVCRQQSDOZEPA-UHFFFAOYSA-N
XLogP2.68
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine (CID 2796185) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine is NC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The InChIKey is KTVCRQQSDOZEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3/c12-9-5-7(11(13,14)15)6-17-10(9)18-3-1-8(16)2-4-18/h5-6,8H,1-4,16H2.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine has a molecular weight of 279.69 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 2796185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).