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

C17H24N4O — CID 56778681

IUPAC2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
SMILESCn1ccnc1CN1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C17H24N4O/c1-19-8-7-18-17(19)14-21-11-9-20(10-12-21)13-16(22)15-5-3-2-4-6-15/h2-8,16,22H,9-14H2,1H3
InChIKeyVJWSECBXMVXGOS-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.27
Rot. Bonds5

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

2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol (PubChem CID 56778681) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
PubChem CID56778681
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
SMILESCn1ccnc1CN1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C17H24N4O/c1-19-8-7-18-17(19)14-21-11-9-20(10-12-21)13-16(22)15-5-3-2-4-6-15/h2-8,16,22H,9-14H2,1H3
InChIKeyVJWSECBXMVXGOS-UHFFFAOYSA-N
XLogP1.27
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-2-[(2S)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95350449
(1R)-2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95322228
(2S)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95314172
1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 154737586
1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol
CID 111462476
(1S)-1-phenyl-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 95341722
(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522
(1R)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-1-phenylethanol
CID 124852286
(2R)-1-(furan-2-ylmethoxy)-3-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95313186
1-[(1-methylimidazol-2-yl)methyl]-4-[2-(2-methylphenyl)ethyl]piperazine
CID 46984988
N-[1-hydroxy-2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 3737847
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]benzonitrile
CID 23852101

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol?
The IUPAC name of 2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol (CID 56778681) is 2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol is Cn1ccnc1CN1CCN(CC(O)c2ccccc2)CC1.
What is the InChIKey of 2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol?
The InChIKey is VJWSECBXMVXGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-19-8-7-18-17(19)14-21-11-9-20(10-12-21)13-16(22)15-5-3-2-4-6-15/h2-8,16,22H,9-14H2,1H3.
What are the key properties of 2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol?
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol has a molecular weight of 300.41 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol is sourced from PubChem (CID 56778681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).