N-ethyl-1-[5-(3,3,4-trimethylpiperazin-1-yl)-2-pyridinyl]ethanamine

C16H28N4 — CID 83127461

IUPACN-ethyl-1-[5-(3,3,4-trimethylpiperazin-1-yl)-2-pyridinyl]ethanamine
SMILESCCNC(C)c1ccc(N2CCN(C)C(C)(C)C2)cn1
InChIInChI=1S/C16H28N4/c1-6-17-13(2)15-8-7-14(11-18-15)20-10-9-19(5)16(3,4)12-20/h7-8,11,13,17H,6,9-10,12H2,1-5H3
InChIKeyPQOVNUXTIJMJQY-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.28
Rot. Bonds4

About N-ethyl-1-[5-(3,3,4-trimethylpiperazin-1-yl)-2-pyridinyl]ethanamine

N-ethyl-1-[5-(3,3,4-trimethylpiperazin-1-yl)-2-pyridinyl]ethanamine (PubChem CID 83127461) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-ethyl-1-[5-(3,3,4-trimethylpiperazin-1-yl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(3,3,4-trimethylpiperazin-1-yl)-2-pyridinyl]ethanamine
PubChem CID83127461
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-ethyl-1-[5-(3,3,4-trimethylpiperazin-1-yl)-2-pyridinyl]ethanamine
SMILESCCNC(C)c1ccc(N2CCN(C)C(C)(C)C2)cn1
InChIInChI=1S/C16H28N4/c1-6-17-13(2)15-8-7-14(11-18-15)20-10-9-19(5)16(3,4)12-20/h7-8,11,13,17H,6,9-10,12H2,1-5H3
InChIKeyPQOVNUXTIJMJQY-UHFFFAOYSA-N
XLogP2.28
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3,3,4-trimethylpiperazin-1-yl)-2-pyridinyl]ethanol
CID 83131559
1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-ethylethanamine
CID 83111380
N-ethyl-1-(5-morpholin-4-yl-2-pyridinyl)ethanamine
CID 83122280
N-ethyl-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 83131415
1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]piperidin-4-ol
CID 83122376
1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-N-ethylethanamine
CID 83111170
1-[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]-N-ethylethanamine
CID 83109204
(1S)-1-[5-(3,3-diethylpyrrolidin-1-yl)-2-pyridinyl]ethanol
CID 83131740
N-[1-(5-morpholin-4-yl-2-pyridinyl)ethyl]propan-1-amine
CID 83122279
1-[5-(2,4-dimethylpiperidin-1-yl)-2-pyridinyl]-N-ethylethanamine
CID 83121863
N-ethyl-1-(5-imidazol-1-yl-2-pyridinyl)ethanamine
CID 83127254
[1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]methanol
CID 83122489

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(3,3,4-trimethylpiperazin-1-yl)-2-pyridinyl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(3,3,4-trimethylpiperazin-1-yl)-2-pyridinyl]ethanamine (CID 83127461) is N-ethyl-1-[5-(3,3,4-trimethylpiperazin-1-yl)-2-pyridinyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(3,3,4-trimethylpiperazin-1-yl)-2-pyridinyl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(3,3,4-trimethylpiperazin-1-yl)-2-pyridinyl]ethanamine is CCNC(C)c1ccc(N2CCN(C)C(C)(C)C2)cn1.
What is the InChIKey of N-ethyl-1-[5-(3,3,4-trimethylpiperazin-1-yl)-2-pyridinyl]ethanamine?
The InChIKey is PQOVNUXTIJMJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-6-17-13(2)15-8-7-14(11-18-15)20-10-9-19(5)16(3,4)12-20/h7-8,11,13,17H,6,9-10,12H2,1-5H3.
What are the key properties of N-ethyl-1-[5-(3,3,4-trimethylpiperazin-1-yl)-2-pyridinyl]ethanamine?
N-ethyl-1-[5-(3,3,4-trimethylpiperazin-1-yl)-2-pyridinyl]ethanamine has a molecular weight of 276.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(3,3,4-trimethylpiperazin-1-yl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83127461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).