N-[(1-piperidin-1-ylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine

C17H28N4 — CID 79058513

IUPACN-[(1-piperidin-1-ylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C17H28N4/c1-2-19-16(15-14-18-10-11-20-15)17(8-4-5-9-17)21-12-6-3-7-13-21/h10-11,14,16,19H,2-9,12-13H2,1H3
InChIKeyKDGVALVVPNYAMS-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.93
Rot. Bonds5

About N-[(1-piperidin-1-ylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine

N-[(1-piperidin-1-ylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine (PubChem CID 79058513) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(1-piperidin-1-ylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(1-piperidin-1-ylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine
PubChem CID79058513
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-[(1-piperidin-1-ylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C17H28N4/c1-2-19-16(15-14-18-10-11-20-15)17(8-4-5-9-17)21-12-6-3-7-13-21/h10-11,14,16,19H,2-9,12-13H2,1H3
InChIKeyKDGVALVVPNYAMS-UHFFFAOYSA-N
XLogP2.93
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 123132957
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CID 75483004
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CID 167387456
CID 167387456
CID 105149977
CID 105149977
CID 105149979
CID 105149979
CID 105149980
CID 105149980
CID 105150002
CID 105150002
CID 105150042
CID 105150042
CID 105150057
CID 105150057
CID 105150072
CID 105150072
CID 105150095
CID 105150095
CID 105150105
CID 105150105

Frequently Asked Questions

What is the IUPAC name of N-[(1-piperidin-1-ylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(1-piperidin-1-ylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine (CID 79058513) is N-[(1-piperidin-1-ylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(1-piperidin-1-ylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(1-piperidin-1-ylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine is CCNC(c1cnccn1)C1(N2CCCCC2)CCCC1.
What is the InChIKey of N-[(1-piperidin-1-ylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine?
The InChIKey is KDGVALVVPNYAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-2-19-16(15-14-18-10-11-20-15)17(8-4-5-9-17)21-12-6-3-7-13-21/h10-11,14,16,19H,2-9,12-13H2,1H3.
What are the key properties of N-[(1-piperidin-1-ylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine?
N-[(1-piperidin-1-ylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine has a molecular weight of 288.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-piperidin-1-ylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine is sourced from PubChem (CID 79058513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).