(1R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-1-pyrazin-2-ylethanamine

C20H29N5 — CID 97231817

IUPAC(1R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-1-pyrazin-2-ylethanamine
SMILESCc1cccc(N2CCN(CCN[C@H](C)c3cnccn3)CC2)c1C
InChIInChI=1S/C20H29N5/c1-16-5-4-6-20(17(16)2)25-13-11-24(12-14-25)10-9-22-18(3)19-15-21-7-8-23-19/h4-8,15,18,22H,9-14H2,1-3H3/t18-/m1/s1
InChIKeyJXNXUFOSXJGDPL-GOSISDBHSA-N
MW339.49 g/mol
LogP2.57
Rot. Bonds6

About (1R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-1-pyrazin-2-ylethanamine

(1R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-1-pyrazin-2-ylethanamine (PubChem CID 97231817) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is (1R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-1-pyrazin-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-1-pyrazin-2-ylethanamine
PubChem CID97231817
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC Name(1R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-1-pyrazin-2-ylethanamine
SMILESCc1cccc(N2CCN(CCN[C@H](C)c3cnccn3)CC2)c1C
InChIInChI=1S/C20H29N5/c1-16-5-4-6-20(17(16)2)25-13-11-24(12-14-25)10-9-22-18(3)19-15-21-7-8-23-19/h4-8,15,18,22H,9-14H2,1-3H3/t18-/m1/s1
InChIKeyJXNXUFOSXJGDPL-GOSISDBHSA-N
XLogP2.57
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-[hydroxy(pyrazin-2-yl)methyl]piperazin-1-yl]ethylamino]ethanol
CID 145484897
(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine
CID 22689441
1-(2-chloroethyl)-4-(2,3-dimethylphenyl)piperazine
CID 61286908
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]ethanamine
CID 71556201
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropan-2-amine
CID 55135743
1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111805935
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanenitrile
CID 11107993
1-(3-bromo-4-pyridinyl)-4-(2,3-dimethylphenyl)piperazine
CID 104777973
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 66454764
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]isoquinolin-1-amine;hydrobromide
CID 67631277
1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-methyl-3-propylguanidine
CID 111833679
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol
CID 142710465

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-1-pyrazin-2-ylethanamine?
The IUPAC name of (1R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-1-pyrazin-2-ylethanamine (CID 97231817) is (1R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-1-pyrazin-2-ylethanamine.
What is the SMILES notation for (1R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-1-pyrazin-2-ylethanamine?
The canonical SMILES for (1R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-1-pyrazin-2-ylethanamine is Cc1cccc(N2CCN(CCN[C@H](C)c3cnccn3)CC2)c1C.
What is the InChIKey of (1R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-1-pyrazin-2-ylethanamine?
The InChIKey is JXNXUFOSXJGDPL-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29N5/c1-16-5-4-6-20(17(16)2)25-13-11-24(12-14-25)10-9-22-18(3)19-15-21-7-8-23-19/h4-8,15,18,22H,9-14H2,1-3H3/t18-/m1/s1.
What are the key properties of (1R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-1-pyrazin-2-ylethanamine?
(1R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-1-pyrazin-2-ylethanamine has a molecular weight of 339.49 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-1-pyrazin-2-ylethanamine is sourced from PubChem (CID 97231817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).