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

C19H28N4O — CID 95305075

IUPAC(2R)-4-[2-(4-methoxyphenyl)ethyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
SMILESCOc1ccc(CCN2CCN(Cc3nccn3C)[C@H](C)C2)cc1
InChIInChI=1S/C19H28N4O/c1-16-14-22(10-8-17-4-6-18(24-3)7-5-17)12-13-23(16)15-19-20-9-11-21(19)2/h4-7,9,11,16H,8,10,12-15H2,1-3H3/t16-/m1/s1
InChIKeySWGYTWVBCCPFJS-MRXNPFEDSA-N
MW328.46 g/mol
LogP2.18
Rot. Bonds6

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

(2R)-4-[2-(4-methoxyphenyl)ethyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine (PubChem CID 95305075) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is (2R)-4-[2-(4-methoxyphenyl)ethyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine.

Molecular Properties

Compound Name(2R)-4-[2-(4-methoxyphenyl)ethyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
PubChem CID95305075
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name(2R)-4-[2-(4-methoxyphenyl)ethyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
SMILESCOc1ccc(CCN2CCN(Cc3nccn3C)[C@H](C)C2)cc1
InChIInChI=1S/C19H28N4O/c1-16-14-22(10-8-17-4-6-18(24-3)7-5-17)12-13-23(16)15-19-20-9-11-21(19)2/h4-7,9,11,16H,8,10,12-15H2,1-3H3/t16-/m1/s1
InChIKeySWGYTWVBCCPFJS-MRXNPFEDSA-N
XLogP2.18
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-[(3-methoxyphenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
CID 95292862
(2S)-4-[(4-fluorophenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
CID 95297188
(2R)-1-(2-ethoxyethyl)-4-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine
CID 124737287
4-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzamide
CID 95287075
(3aS,6aR)-3-[2-(4-methoxyphenyl)ethyl]-5-[(1-methylimidazol-2-yl)methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
CID 25287164
3-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 95301302
(2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine
CID 100838868
1-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]cyclohexan-1-ol
CID 95284674
2-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pentanedinitrile
CID 56802794
2-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 95291066
(2R)-1-(2-methoxyethyl)-4-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperazine
CID 95350389
4-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]butan-2-amine
CID 63002181

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-(4-methoxyphenyl)ethyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine?
The IUPAC name of (2R)-4-[2-(4-methoxyphenyl)ethyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine (CID 95305075) is (2R)-4-[2-(4-methoxyphenyl)ethyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine.
What is the SMILES notation for (2R)-4-[2-(4-methoxyphenyl)ethyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine?
The canonical SMILES for (2R)-4-[2-(4-methoxyphenyl)ethyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine is COc1ccc(CCN2CCN(Cc3nccn3C)[C@H](C)C2)cc1.
What is the InChIKey of (2R)-4-[2-(4-methoxyphenyl)ethyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine?
The InChIKey is SWGYTWVBCCPFJS-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N4O/c1-16-14-22(10-8-17-4-6-18(24-3)7-5-17)12-13-23(16)15-19-20-9-11-21(19)2/h4-7,9,11,16H,8,10,12-15H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-4-[2-(4-methoxyphenyl)ethyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine?
(2R)-4-[2-(4-methoxyphenyl)ethyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine has a molecular weight of 328.46 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-(4-methoxyphenyl)ethyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine is sourced from PubChem (CID 95305075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).