6-chloro-N-(1-ethylpiperidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine

C13H17ClF3N3 — CID 106193705

IUPAC6-chloro-N-(1-ethylpiperidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCN1CCC(Nc2cc(C(F)(F)F)cc(Cl)n2)CC1
InChIInChI=1S/C13H17ClF3N3/c1-2-20-5-3-10(4-6-20)18-12-8-9(13(15,16)17)7-11(14)19-12/h7-8,10H,2-6H2,1H3,(H,18,19)
InChIKeyXWDPFUMRAUMLPD-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.65
Rot. Bonds3

About 6-chloro-N-(1-ethylpiperidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine

6-chloro-N-(1-ethylpiperidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 106193705) has the molecular formula C13H17ClF3N3 and a molecular weight of 307.75 g/mol. Its IUPAC name is 6-chloro-N-(1-ethylpiperidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(1-ethylpiperidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID106193705
Molecular FormulaC13H17ClF3N3
Molecular Weight307.75 g/mol
Exact Mass307.11
IUPAC Name6-chloro-N-(1-ethylpiperidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCN1CCC(Nc2cc(C(F)(F)F)cc(Cl)n2)CC1
InChIInChI=1S/C13H17ClF3N3/c1-2-20-5-3-10(4-6-20)18-12-8-9(13(15,16)17)7-11(14)19-12/h7-8,10H,2-6H2,1H3,(H,18,19)
InChIKeyXWDPFUMRAUMLPD-UHFFFAOYSA-N
XLogP3.65
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(1-ethylpiperidin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106193711
6-chloro-N-cyclopentyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715432
2-chloro-6-[(1-ethylpiperidin-4-yl)amino]pyridine-4-carbonitrile
CID 106193671
6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715566
1-ethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine
CID 66480329
6-chloro-N-(2-methylcyclopropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715826
6-N-(1-ethylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717902
6-N-(1-methylpiperidin-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717481
2-chloro-6-[(1-propylpiperidin-4-yl)amino]pyridine-4-carbonitrile
CID 83074101
5-tert-butyl-N-(1-ethylpiperidin-4-yl)pyridin-2-amine
CID 107874539
N-(1-ethylpiperidin-4-yl)quinolin-2-amine
CID 60666937
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]cycloheptan-1-ol
CID 102716139

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-ethylpiperidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-(1-ethylpiperidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 106193705) is 6-chloro-N-(1-ethylpiperidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(1-ethylpiperidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(1-ethylpiperidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine is CCN1CCC(Nc2cc(C(F)(F)F)cc(Cl)n2)CC1.
What is the InChIKey of 6-chloro-N-(1-ethylpiperidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is XWDPFUMRAUMLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N3/c1-2-20-5-3-10(4-6-20)18-12-8-9(13(15,16)17)7-11(14)19-12/h7-8,10H,2-6H2,1H3,(H,18,19).
What are the key properties of 6-chloro-N-(1-ethylpiperidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-(1-ethylpiperidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 307.75 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-ethylpiperidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106193705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).