(1R)-2-[(2S)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol

C18H26N4O — CID 95350449

IUPAC(1R)-2-[(2S)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
SMILESC[C@H]1CN(Cc2nccn2C)CCN1C[C@H](O)c1ccccc1
InChIInChI=1S/C18H26N4O/c1-15-12-21(14-18-19-8-9-20(18)2)10-11-22(15)13-17(23)16-6-4-3-5-7-16/h3-9,15,17,23H,10-14H2,1-2H3/t15-,17-/m0/s1
InChIKeyMBCIVUBMTPEMLS-RDJZCZTQSA-N
MW314.43 g/mol
LogP1.66
Rot. Bonds5

About (1R)-2-[(2S)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol

(1R)-2-[(2S)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol (PubChem CID 95350449) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is (1R)-2-[(2S)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[(2S)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
PubChem CID95350449
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name(1R)-2-[(2S)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
SMILESC[C@H]1CN(Cc2nccn2C)CCN1C[C@H](O)c1ccccc1
InChIInChI=1S/C18H26N4O/c1-15-12-21(14-18-19-8-9-20(18)2)10-11-22(15)13-17(23)16-6-4-3-5-7-16/h3-9,15,17,23H,10-14H2,1-2H3/t15-,17-/m0/s1
InChIKeyMBCIVUBMTPEMLS-RDJZCZTQSA-N
XLogP1.66
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 56778681
(1R)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-phenylethanol
CID 95336645
(1S)-2-[(2R)-2-methyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 124840043
(1R)-2-[(2S)-2-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 98761330
(1R)-2-[(2R)-2-methyl-4-(2-methylsulfonylethyl)piperazin-1-yl]-1-phenylethanol
CID 95322467
(2S)-4-[(4-fluorophenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
CID 95297188
3-[(3R)-4-[(2S)-2-hydroxy-2-phenylethyl]-3-methylpiperazin-1-yl]propane-1-sulfonamide
CID 100843328
4-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzamide
CID 95287075
(2R)-4-[(3-methoxyphenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
CID 95292862
2-[(3S)-4-[(2R)-2-hydroxy-2-phenylethyl]-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 95321302
(1S,5R)-6-benzyl-3-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 70725089
3-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 95301302

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(2S)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol?
The IUPAC name of (1R)-2-[(2S)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol (CID 95350449) is (1R)-2-[(2S)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[(2S)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol?
The canonical SMILES for (1R)-2-[(2S)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol is C[C@H]1CN(Cc2nccn2C)CCN1C[C@H](O)c1ccccc1.
What is the InChIKey of (1R)-2-[(2S)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol?
The InChIKey is MBCIVUBMTPEMLS-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H26N4O/c1-15-12-21(14-18-19-8-9-20(18)2)10-11-22(15)13-17(23)16-6-4-3-5-7-16/h3-9,15,17,23H,10-14H2,1-2H3/t15-,17-/m0/s1.
What are the key properties of (1R)-2-[(2S)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol?
(1R)-2-[(2S)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol has a molecular weight of 314.43 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(2S)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol is sourced from PubChem (CID 95350449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).