N-[2-(4-ethylpiperazin-1-yl)propyl]-5-(trifluoromethoxy)pyridin-2-amine

C15H23F3N4O — CID 133489757

IUPACN-[2-(4-ethylpiperazin-1-yl)propyl]-5-(trifluoromethoxy)pyridin-2-amine
SMILESCCN1CCN(C(C)CNc2ccc(OC(F)(F)F)cn2)CC1
InChIInChI=1S/C15H23F3N4O/c1-3-21-6-8-22(9-7-21)12(2)10-19-14-5-4-13(11-20-14)23-15(16,17)18/h4-5,11-12H,3,6-10H2,1-2H3,(H,19,20)
InChIKeyBDYGTTXPKFSYQP-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.42
Rot. Bonds6

About N-[2-(4-ethylpiperazin-1-yl)propyl]-5-(trifluoromethoxy)pyridin-2-amine

N-[2-(4-ethylpiperazin-1-yl)propyl]-5-(trifluoromethoxy)pyridin-2-amine (PubChem CID 133489757) has the molecular formula C15H23F3N4O and a molecular weight of 332.37 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)propyl]-5-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)propyl]-5-(trifluoromethoxy)pyridin-2-amine
PubChem CID133489757
Molecular FormulaC15H23F3N4O
Molecular Weight332.37 g/mol
Exact Mass332.18
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)propyl]-5-(trifluoromethoxy)pyridin-2-amine
SMILESCCN1CCN(C(C)CNc2ccc(OC(F)(F)F)cn2)CC1
InChIInChI=1S/C15H23F3N4O/c1-3-21-6-8-22(9-7-21)12(2)10-19-14-5-4-13(11-20-14)23-15(16,17)18/h4-5,11-12H,3,6-10H2,1-2H3,(H,19,20)
InChIKeyBDYGTTXPKFSYQP-UHFFFAOYSA-N
XLogP2.42
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine
CID 114280854
4-bromo-N-[2-(4-ethylpiperazin-1-yl)propyl]pyridin-2-amine
CID 86816282
N-(2-methyl-2-methylsulfanylpropyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133492021
N-(cyclopropylmethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133489171
N,N-dimethyl-1-thiophen-2-yl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine
CID 133488362
ethane;N-propan-2-yl-5-(trifluoromethoxy)pyridin-2-amine
CID 169238058
2-[2-(4-ethylpiperazin-1-yl)propyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111056062
(2R)-2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 92763017
N-(1-methoxypropan-2-yl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133488159
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 86816281
N-[2-(4-ethylpiperazin-1-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969869
N-[2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 71684939

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)propyl]-5-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)propyl]-5-(trifluoromethoxy)pyridin-2-amine (CID 133489757) is N-[2-(4-ethylpiperazin-1-yl)propyl]-5-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)propyl]-5-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)propyl]-5-(trifluoromethoxy)pyridin-2-amine is CCN1CCN(C(C)CNc2ccc(OC(F)(F)F)cn2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)propyl]-5-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is BDYGTTXPKFSYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O/c1-3-21-6-8-22(9-7-21)12(2)10-19-14-5-4-13(11-20-14)23-15(16,17)18/h4-5,11-12H,3,6-10H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)propyl]-5-(trifluoromethoxy)pyridin-2-amine?
N-[2-(4-ethylpiperazin-1-yl)propyl]-5-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 332.37 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)propyl]-5-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 133489757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).