(2R)-4-[(3-methoxyphenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine

C18H26N4O — CID 95292862

IUPAC(2R)-4-[(3-methoxyphenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
SMILESCOc1cccc(CN2CCN(Cc3nccn3C)[C@H](C)C2)c1
InChIInChI=1S/C18H26N4O/c1-15-12-21(13-16-5-4-6-17(11-16)23-3)9-10-22(15)14-18-19-7-8-20(18)2/h4-8,11,15H,9-10,12-14H2,1-3H3/t15-/m1/s1
InChIKeyZANPCGHWJDMKJR-OAHLLOKOSA-N
MW314.43 g/mol
LogP2.13
Rot. Bonds5

About (2R)-4-[(3-methoxyphenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine

(2R)-4-[(3-methoxyphenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine (PubChem CID 95292862) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is (2R)-4-[(3-methoxyphenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine.

Molecular Properties

Compound Name(2R)-4-[(3-methoxyphenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
PubChem CID95292862
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name(2R)-4-[(3-methoxyphenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
SMILESCOc1cccc(CN2CCN(Cc3nccn3C)[C@H](C)C2)c1
InChIInChI=1S/C18H26N4O/c1-15-12-21(13-16-5-4-6-17(11-16)23-3)9-10-22(15)14-18-19-7-8-20(18)2/h4-8,11,15H,9-10,12-14H2,1-3H3/t15-/m1/s1
InChIKeyZANPCGHWJDMKJR-OAHLLOKOSA-N
XLogP2.13
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(3-methoxyphenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine?
The IUPAC name of (2R)-4-[(3-methoxyphenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine (CID 95292862) is (2R)-4-[(3-methoxyphenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine.
What is the SMILES notation for (2R)-4-[(3-methoxyphenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine?
The canonical SMILES for (2R)-4-[(3-methoxyphenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine is COc1cccc(CN2CCN(Cc3nccn3C)[C@H](C)C2)c1.
What is the InChIKey of (2R)-4-[(3-methoxyphenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine?
The InChIKey is ZANPCGHWJDMKJR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N4O/c1-15-12-21(13-16-5-4-6-17(11-16)23-3)9-10-22(15)14-18-19-7-8-20(18)2/h4-8,11,15H,9-10,12-14H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-4-[(3-methoxyphenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine?
(2R)-4-[(3-methoxyphenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine has a molecular weight of 314.43 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(3-methoxyphenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine is sourced from PubChem (CID 95292862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).