1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-ethylethanamine

C17H30N4 — CID 83111380

IUPAC1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(N2CCN(C(C)(C)C)CC2)cn1
InChIInChI=1S/C17H30N4/c1-6-18-14(2)16-8-7-15(13-19-16)20-9-11-21(12-10-20)17(3,4)5/h7-8,13-14,18H,6,9-12H2,1-5H3
InChIKeyXMRFQCCTLGRFEQ-UHFFFAOYSA-N
MW290.46 g/mol
LogP2.67
Rot. Bonds4

About 1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-ethylethanamine

1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-ethylethanamine (PubChem CID 83111380) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-ethylethanamine
PubChem CID83111380
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(N2CCN(C(C)(C)C)CC2)cn1
InChIInChI=1S/C17H30N4/c1-6-18-14(2)16-8-7-15(13-19-16)20-9-11-21(12-10-20)17(3,4)5/h7-8,13-14,18H,6,9-12H2,1-5H3
InChIKeyXMRFQCCTLGRFEQ-UHFFFAOYSA-N
XLogP2.67
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-ethylethanamine?
The IUPAC name of 1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-ethylethanamine (CID 83111380) is 1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-ethylethanamine?
The canonical SMILES for 1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-ethylethanamine is CCNC(C)c1ccc(N2CCN(C(C)(C)C)CC2)cn1.
What is the InChIKey of 1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-ethylethanamine?
The InChIKey is XMRFQCCTLGRFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-6-18-14(2)16-8-7-15(13-19-16)20-9-11-21(12-10-20)17(3,4)5/h7-8,13-14,18H,6,9-12H2,1-5H3.
What are the key properties of 1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-ethylethanamine?
1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-ethylethanamine has a molecular weight of 290.46 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-ethylethanamine is sourced from PubChem (CID 83111380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).