N-ethyl-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butan-1-amine

C15H24F3N5 — CID 170171938

IUPACN-ethyl-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butan-1-amine
SMILESCCNCCCCN1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C15H24F3N5/c1-2-19-5-3-4-6-22-7-9-23(10-8-22)14-20-11-13(12-21-14)15(16,17)18/h11-12,19H,2-10H2,1H3
InChIKeyBSEAACBSJXBTOU-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.01
Rot. Bonds7

About N-ethyl-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butan-1-amine

N-ethyl-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butan-1-amine (PubChem CID 170171938) has the molecular formula C15H24F3N5 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-ethyl-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butan-1-amine
PubChem CID170171938
Molecular FormulaC15H24F3N5
Molecular Weight331.39 g/mol
Exact Mass331.20
IUPAC NameN-ethyl-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butan-1-amine
SMILESCCNCCCCN1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C15H24F3N5/c1-2-19-5-3-4-6-22-7-9-23(10-8-22)14-20-11-13(12-21-14)15(16,17)18/h11-12,19H,2-10H2,1H3
InChIKeyBSEAACBSJXBTOU-UHFFFAOYSA-N
XLogP2.01
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide
CID 175401746
N'-ethyl-N'-pyrimidin-2-yl-N-[12-(4-pyrimidin-2-ylpiperazin-1-yl)dodecyl]ethane-1,2-diamine
CID 176837206
N-ethyl-4-(4-propylpiperazin-1-yl)butan-1-amine
CID 62424325
2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine
CID 46838882
4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylic acid
CID 171778967
3-[[(2S)-2-hydroxypropyl]amino]-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 146218844
N-ethyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine
CID 62425678
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]hexan-3-one
CID 91252320
3-(propan-2-ylamino)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;hydrochloride
CID 171493025
4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]butan-1-amine
CID 63208464
4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide
CID 129105303
1-ethyl-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-2-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111419958

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butan-1-amine?
The IUPAC name of N-ethyl-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butan-1-amine (CID 170171938) is N-ethyl-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butan-1-amine.
What is the SMILES notation for N-ethyl-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butan-1-amine?
The canonical SMILES for N-ethyl-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butan-1-amine is CCNCCCCN1CCN(c2ncc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N-ethyl-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butan-1-amine?
The InChIKey is BSEAACBSJXBTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N5/c1-2-19-5-3-4-6-22-7-9-23(10-8-22)14-20-11-13(12-21-14)15(16,17)18/h11-12,19H,2-10H2,1H3.
What are the key properties of N-ethyl-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butan-1-amine?
N-ethyl-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butan-1-amine has a molecular weight of 331.39 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 170171938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).