N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]propan-2-amine

C14H21F3N4 — CID 66449354

IUPACN-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C14H21F3N4/c1-10(2)19-7-12-6-18-8-13(20-12)21-5-3-4-11(9-21)14(15,16)17/h6,8,10-11,19H,3-5,7,9H2,1-2H3
InChIKeyQVHLHXLZCVPZFA-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.75
Rot. Bonds4

About N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]propan-2-amine

N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]propan-2-amine (PubChem CID 66449354) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]propan-2-amine
PubChem CID66449354
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC NameN-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C14H21F3N4/c1-10(2)19-7-12-6-18-8-13(20-12)21-5-3-4-11(9-21)14(15,16)17/h6,8,10-11,19H,3-5,7,9H2,1-2H3
InChIKeyQVHLHXLZCVPZFA-UHFFFAOYSA-N
XLogP2.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]propan-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

Frequently Asked Questions

What is the IUPAC name of N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]propan-2-amine (CID 66449354) is N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]propan-2-amine is CC(C)NCc1cncc(N2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]propan-2-amine?
The InChIKey is QVHLHXLZCVPZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-10(2)19-7-12-6-18-8-13(20-12)21-5-3-4-11(9-21)14(15,16)17/h6,8,10-11,19H,3-5,7,9H2,1-2H3.
What are the key properties of N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]propan-2-amine?
N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]propan-2-amine has a molecular weight of 302.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 66449354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).