(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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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).