2-(4-butan-2-ylpiperazin-1-yl)-2-pyridin-4-ylethanamine

C15H26N4 — CID 62774987

IUPAC2-(4-butan-2-ylpiperazin-1-yl)-2-pyridin-4-ylethanamine
SMILESCCC(C)N1CCN(C(CN)c2ccncc2)CC1
InChIInChI=1S/C15H26N4/c1-3-13(2)18-8-10-19(11-9-18)15(12-16)14-4-6-17-7-5-14/h4-7,13,15H,3,8-12,16H2,1-2H3
InChIKeyIQHHDBYXSOGKCH-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.50
Rot. Bonds5

About 2-(4-butan-2-ylpiperazin-1-yl)-2-pyridin-4-ylethanamine

2-(4-butan-2-ylpiperazin-1-yl)-2-pyridin-4-ylethanamine (PubChem CID 62774987) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(4-butan-2-ylpiperazin-1-yl)-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name2-(4-butan-2-ylpiperazin-1-yl)-2-pyridin-4-ylethanamine
PubChem CID62774987
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name2-(4-butan-2-ylpiperazin-1-yl)-2-pyridin-4-ylethanamine
SMILESCCC(C)N1CCN(C(CN)c2ccncc2)CC1
InChIInChI=1S/C15H26N4/c1-3-13(2)18-8-10-19(11-9-18)15(12-16)14-4-6-17-7-5-14/h4-7,13,15H,3,8-12,16H2,1-2H3
InChIKeyIQHHDBYXSOGKCH-UHFFFAOYSA-N
XLogP1.50
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)-2-pyridin-4-ylethanamine?
The IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)-2-pyridin-4-ylethanamine (CID 62774987) is 2-(4-butan-2-ylpiperazin-1-yl)-2-pyridin-4-ylethanamine.
What is the SMILES notation for 2-(4-butan-2-ylpiperazin-1-yl)-2-pyridin-4-ylethanamine?
The canonical SMILES for 2-(4-butan-2-ylpiperazin-1-yl)-2-pyridin-4-ylethanamine is CCC(C)N1CCN(C(CN)c2ccncc2)CC1.
What is the InChIKey of 2-(4-butan-2-ylpiperazin-1-yl)-2-pyridin-4-ylethanamine?
The InChIKey is IQHHDBYXSOGKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-13(2)18-8-10-19(11-9-18)15(12-16)14-4-6-17-7-5-14/h4-7,13,15H,3,8-12,16H2,1-2H3.
What are the key properties of 2-(4-butan-2-ylpiperazin-1-yl)-2-pyridin-4-ylethanamine?
2-(4-butan-2-ylpiperazin-1-yl)-2-pyridin-4-ylethanamine has a molecular weight of 262.40 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylpiperazin-1-yl)-2-pyridin-4-ylethanamine is sourced from PubChem (CID 62774987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).