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

C14H21F3N4 — CID 66449753

IUPACN-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cncc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C14H21F3N4/c1-2-5-18-7-12-8-19-9-13(20-12)21-6-3-4-11(10-21)14(15,16)17/h8-9,11,18H,2-7,10H2,1H3
InChIKeySMWSFIAWLMAVNA-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.75
Rot. Bonds5

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

N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]propan-1-amine (PubChem CID 66449753) 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-1-amine.

Molecular Properties

Compound NameN-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]propan-1-amine
PubChem CID66449753
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC NameN-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cncc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C14H21F3N4/c1-2-5-18-7-12-8-19-9-13(20-12)21-6-3-4-11(10-21)14(15,16)17/h8-9,11,18H,2-7,10H2,1H3
InChIKeySMWSFIAWLMAVNA-UHFFFAOYSA-N
XLogP2.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]propan-1-amine (CID 66449753) is N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]propan-1-amine is CCCNCc1cncc(N2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]propan-1-amine?
The InChIKey is SMWSFIAWLMAVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-2-5-18-7-12-8-19-9-13(20-12)21-6-3-4-11(10-21)14(15,16)17/h8-9,11,18H,2-7,10H2,1H3.
What are the key properties of N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]propan-1-amine?
N-[[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methyl]propan-1-amine has a molecular weight of 302.34 g/mol, XLogP of 2.75, 5 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-1-amine is sourced from PubChem (CID 66449753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).