(2R)-2-(2-methoxyphenyl)-1-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine

C19H28N4O — CID 124992562

IUPAC(2R)-2-(2-methoxyphenyl)-1-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine
SMILESCOc1ccccc1[C@@H]1CN(Cc2nccn2C(C)C)CCN1C
InChIInChI=1S/C19H28N4O/c1-15(2)23-10-9-20-19(23)14-22-12-11-21(3)17(13-22)16-7-5-6-8-18(16)24-4/h5-10,15,17H,11-14H2,1-4H3/t17-/m0/s1
InChIKeyPROAGTJBQPKWMX-KRWDZBQOSA-N
MW328.46 g/mol
LogP2.96
Rot. Bonds5

About (2R)-2-(2-methoxyphenyl)-1-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine

(2R)-2-(2-methoxyphenyl)-1-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine (PubChem CID 124992562) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is (2R)-2-(2-methoxyphenyl)-1-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine.

Molecular Properties

Compound Name(2R)-2-(2-methoxyphenyl)-1-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine
PubChem CID124992562
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name(2R)-2-(2-methoxyphenyl)-1-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine
SMILESCOc1ccccc1[C@@H]1CN(Cc2nccn2C(C)C)CCN1C
InChIInChI=1S/C19H28N4O/c1-15(2)23-10-9-20-19(23)14-22-12-11-21(3)17(13-22)16-7-5-6-8-18(16)24-4/h5-10,15,17H,11-14H2,1-4H3/t17-/m0/s1
InChIKeyPROAGTJBQPKWMX-KRWDZBQOSA-N
XLogP2.96
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-1-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazine
CID 110096855
2-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pyrimidine
CID 110258059
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120753443
2,4-dimethoxy-6-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-1,3,5-triazine
CID 110090523
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one
CID 110293139
(3R)-1-[2-(2-methoxyphenoxy)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 97193416
(3S)-1-[2-(2-methoxyphenoxy)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 97193417
4-ethylsulfonyl-2-(2-methoxyphenyl)-1-methylpiperazine
CID 110293209
2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 110096819
2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride
CID 120767521
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-pyrazol-1-ylethanone
CID 110098353
(2S)-4-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenyl)-1-methylpiperazine
CID 125017271

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxyphenyl)-1-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine?
The IUPAC name of (2R)-2-(2-methoxyphenyl)-1-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine (CID 124992562) is (2R)-2-(2-methoxyphenyl)-1-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine.
What is the SMILES notation for (2R)-2-(2-methoxyphenyl)-1-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine?
The canonical SMILES for (2R)-2-(2-methoxyphenyl)-1-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine is COc1ccccc1[C@@H]1CN(Cc2nccn2C(C)C)CCN1C.
What is the InChIKey of (2R)-2-(2-methoxyphenyl)-1-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine?
The InChIKey is PROAGTJBQPKWMX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N4O/c1-15(2)23-10-9-20-19(23)14-22-12-11-21(3)17(13-22)16-7-5-6-8-18(16)24-4/h5-10,15,17H,11-14H2,1-4H3/t17-/m0/s1.
What are the key properties of (2R)-2-(2-methoxyphenyl)-1-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine?
(2R)-2-(2-methoxyphenyl)-1-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine has a molecular weight of 328.46 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxyphenyl)-1-methyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine is sourced from PubChem (CID 124992562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).