1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine

C18H31N5 — CID 155403164

IUPAC1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine
SMILESCCN1CCN(Cc2ccc(N3CCN(CC)CC3)nc2)CC1
InChIInChI=1S/C18H31N5/c1-3-20-7-9-22(10-8-20)16-17-5-6-18(19-15-17)23-13-11-21(4-2)12-14-23/h5-6,15H,3-4,7-14,16H2,1-2H3
InChIKeyDIYGNDINCDXCGH-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.36
Rot. Bonds5

About 1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine

1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine (PubChem CID 155403164) has the molecular formula C18H31N5 and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine
PubChem CID155403164
Molecular FormulaC18H31N5
Molecular Weight317.48 g/mol
Exact Mass317.26
IUPAC Name1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine
SMILESCCN1CCN(Cc2ccc(N3CCN(CC)CC3)nc2)CC1
InChIInChI=1S/C18H31N5/c1-3-20-7-9-22(10-8-20)16-17-5-6-18(19-15-17)23-13-11-21(4-2)12-14-23/h5-6,15H,3-4,7-14,16H2,1-2H3
InChIKeyDIYGNDINCDXCGH-UHFFFAOYSA-N
XLogP1.36
TPSA25.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine
CID 59019183
5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]pyridin-2-amine
CID 172866624
4-benzyl-N-ethyl-N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 110959548
1-benzyl-4-[5-(bromomethyl)-2-pyridinyl]piperazine
CID 107079127
6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride
CID 154881659
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide
CID 146083518
1-ethyl-4-(5-nitro-2-pyridinyl)piperazine
CID 2848980
1-ethyl-2-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-prop-2-enylguanidine
CID 110979966
1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111000568
N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111053335
1-methyl-4-[[4-(6-pyrrolidin-1-yl-3-pyridinyl)phenyl]methyl]piperazine
CID 146252821
1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111232712

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine?
The IUPAC name of 1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine (CID 155403164) is 1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine?
The canonical SMILES for 1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine is CCN1CCN(Cc2ccc(N3CCN(CC)CC3)nc2)CC1.
What is the InChIKey of 1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine?
The InChIKey is DIYGNDINCDXCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5/c1-3-20-7-9-22(10-8-20)16-17-5-6-18(19-15-17)23-13-11-21(4-2)12-14-23/h5-6,15H,3-4,7-14,16H2,1-2H3.
What are the key properties of 1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine?
1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine has a molecular weight of 317.48 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine is sourced from PubChem (CID 155403164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).