N-(piperidin-2-ylmethyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine

C15H22F3N3 — CID 106642582

IUPACN-(piperidin-2-ylmethyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCN(CC1CCCCN1)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C15H22F3N3/c1-2-9-21(11-13-5-3-4-7-19-13)14-10-12(6-8-20-14)15(16,17)18/h6,8,10,13,19H,2-5,7,9,11H2,1H3
InChIKeyUYBRXWHZOJAJBE-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.46
Rot. Bonds5

About N-(piperidin-2-ylmethyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine

N-(piperidin-2-ylmethyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 106642582) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID106642582
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC NameN-(piperidin-2-ylmethyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCN(CC1CCCCN1)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C15H22F3N3/c1-2-9-21(11-13-5-3-4-7-19-13)14-10-12(6-8-20-14)15(16,17)18/h6,8,10,13,19H,2-5,7,9,11H2,1H3
InChIKeyUYBRXWHZOJAJBE-UHFFFAOYSA-N
XLogP3.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(piperidin-2-ylmethyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 106641229
2-[piperidin-2-ylmethyl(propyl)amino]pyridine-4-carboxamide
CID 106642290
4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805325
2-[propyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 66330070
6-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106619805
4,6-dimethyl-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine
CID 106642566
N-propyl-N-(pyrrolidin-2-ylmethyl)pyridazin-3-amine
CID 106619840
1-methyl-N-(piperidin-2-ylmethyl)-N-propylimidazol-2-amine
CID 106642484
5-chloro-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine
CID 106642347
N-butyl-N-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)aniline
CID 106620257
N-propyl-N-(pyrrolidin-2-ylmethyl)pyrido[2,3-b]pyrazin-6-amine
CID 106619672
5,6-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106619724

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(piperidin-2-ylmethyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine (CID 106642582) is N-(piperidin-2-ylmethyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(piperidin-2-ylmethyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine is CCCN(CC1CCCCN1)c1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-(piperidin-2-ylmethyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is UYBRXWHZOJAJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-2-9-21(11-13-5-3-4-7-19-13)14-10-12(6-8-20-14)15(16,17)18/h6,8,10,13,19H,2-5,7,9,11H2,1H3.
What are the key properties of N-(piperidin-2-ylmethyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
N-(piperidin-2-ylmethyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 301.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106642582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).