1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-(pyrazin-2-ylmethyl)methanamine

C19H27N5 — CID 112722216

IUPAC1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-(pyrazin-2-ylmethyl)methanamine
SMILESCCN1CCN(Cc2ccc(CNCc3cnccn3)cc2)CC1
InChIInChI=1S/C19H27N5/c1-2-23-9-11-24(12-10-23)16-18-5-3-17(4-6-18)13-21-15-19-14-20-7-8-22-19/h3-8,14,21H,2,9-13,15-16H2,1H3
InChIKeyIWPOASVIHFMUKH-UHFFFAOYSA-N
MW325.46 g/mol
LogP1.90
Rot. Bonds7

About 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-(pyrazin-2-ylmethyl)methanamine

1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-(pyrazin-2-ylmethyl)methanamine (PubChem CID 112722216) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-(pyrazin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-(pyrazin-2-ylmethyl)methanamine
PubChem CID112722216
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-(pyrazin-2-ylmethyl)methanamine
SMILESCCN1CCN(Cc2ccc(CNCc3cnccn3)cc2)CC1
InChIInChI=1S/C19H27N5/c1-2-23-9-11-24(12-10-23)16-18-5-3-17(4-6-18)13-21-15-19-14-20-7-8-22-19/h3-8,14,21H,2,9-13,15-16H2,1H3
InChIKeyIWPOASVIHFMUKH-UHFFFAOYSA-N
XLogP1.90
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-N-(pyrazin-2-ylmethyl)methanamine
CID 62761074
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]butan-1-amine
CID 112722208
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62419565
1-[4-(piperidin-1-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 83962786
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419563
5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]pyridin-2-amine
CID 172866624
4-[[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylamino]methyl]benzonitrile
CID 47052709
N-(pyridin-2-ylmethyl)-1-[4-(4,7,10,15-tetrazabicyclo[11.3.1]heptadeca-1(17),13,15-trien-7-ylmethyl)phenyl]methanamine
CID 45486368
N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 174676265
1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine
CID 155403164
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 55069752

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-(pyrazin-2-ylmethyl)methanamine?
The IUPAC name of 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-(pyrazin-2-ylmethyl)methanamine (CID 112722216) is 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-(pyrazin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-(pyrazin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-(pyrazin-2-ylmethyl)methanamine is CCN1CCN(Cc2ccc(CNCc3cnccn3)cc2)CC1.
What is the InChIKey of 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-(pyrazin-2-ylmethyl)methanamine?
The InChIKey is IWPOASVIHFMUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-2-23-9-11-24(12-10-23)16-18-5-3-17(4-6-18)13-21-15-19-14-20-7-8-22-19/h3-8,14,21H,2,9-13,15-16H2,1H3.
What are the key properties of 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-(pyrazin-2-ylmethyl)methanamine?
1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-(pyrazin-2-ylmethyl)methanamine has a molecular weight of 325.46 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-(pyrazin-2-ylmethyl)methanamine is sourced from PubChem (CID 112722216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).