5-bromo-N-(2-piperidin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine

C14H19BrF3N3 — CID 106796017

IUPAC5-bromo-N-(2-piperidin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(CNc1ncc(Br)cc1C(F)(F)F)N1CCCCC1
InChIInChI=1S/C14H19BrF3N3/c1-10(21-5-3-2-4-6-21)8-19-13-12(14(16,17)18)7-11(15)9-20-13/h7,9-10H,2-6,8H2,1H3,(H,19,20)
InChIKeyBIADJRXQCKMOBO-UHFFFAOYSA-N
MW366.23 g/mol
LogP4.15
Rot. Bonds4

About 5-bromo-N-(2-piperidin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine

5-bromo-N-(2-piperidin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106796017) has the molecular formula C14H19BrF3N3 and a molecular weight of 366.23 g/mol. Its IUPAC name is 5-bromo-N-(2-piperidin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-piperidin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106796017
Molecular FormulaC14H19BrF3N3
Molecular Weight366.23 g/mol
Exact Mass365.07
IUPAC Name5-bromo-N-(2-piperidin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(CNc1ncc(Br)cc1C(F)(F)F)N1CCCCC1
InChIInChI=1S/C14H19BrF3N3/c1-10(21-5-3-2-4-6-21)8-19-13-12(14(16,17)18)7-11(15)9-20-13/h7,9-10H,2-6,8H2,1H3,(H,19,20)
InChIKeyBIADJRXQCKMOBO-UHFFFAOYSA-N
XLogP4.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796067
3-bromo-5-methyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 105366766
1-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol
CID 107153440
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine
CID 106797276
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 106796532
3,5-dichloro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 54899459
5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796001
5-bromo-N-cyclooctyl-3-(trifluoromethyl)pyridin-2-amine
CID 106795924
2-bromo-N-(2-piperidin-1-ylpropyl)-4-(trifluoromethyl)aniline
CID 115511527
3-chloro-2-N-(2-piperidin-1-ylpropyl)pyridine-2,5-diamine
CID 114046187
5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796000
5-bromo-2-N-methyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 80819201

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-piperidin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(2-piperidin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine (CID 106796017) is 5-bromo-N-(2-piperidin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-piperidin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2-piperidin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine is CC(CNc1ncc(Br)cc1C(F)(F)F)N1CCCCC1.
What is the InChIKey of 5-bromo-N-(2-piperidin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BIADJRXQCKMOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrF3N3/c1-10(21-5-3-2-4-6-21)8-19-13-12(14(16,17)18)7-11(15)9-20-13/h7,9-10H,2-6,8H2,1H3,(H,19,20).
What are the key properties of 5-bromo-N-(2-piperidin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-(2-piperidin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 366.23 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-piperidin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106796017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).