(2R)-1-(furan-2-ylmethoxy)-3-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-2-ol

C17H26N4O3 — CID 95313186

IUPAC(2R)-1-(furan-2-ylmethoxy)-3-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESCn1ccnc1CN1CCN(C[C@@H](O)COCc2ccco2)CC1
InChIInChI=1S/C17H26N4O3/c1-19-5-4-18-17(19)12-21-8-6-20(7-9-21)11-15(22)13-23-14-16-3-2-10-24-16/h2-5,10,15,22H,6-9,11-14H2,1H3/t15-/m1/s1
InChIKeyQWIQRQYWKZUIOZ-OAHLLOKOSA-N
MW334.42 g/mol
LogP0.71
Rot. Bonds8

About (2R)-1-(furan-2-ylmethoxy)-3-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-2-ol

(2R)-1-(furan-2-ylmethoxy)-3-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-2-ol (PubChem CID 95313186) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is (2R)-1-(furan-2-ylmethoxy)-3-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(furan-2-ylmethoxy)-3-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-2-ol
PubChem CID95313186
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name(2R)-1-(furan-2-ylmethoxy)-3-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESCn1ccnc1CN1CCN(C[C@@H](O)COCc2ccco2)CC1
InChIInChI=1S/C17H26N4O3/c1-19-5-4-18-17(19)12-21-8-6-20(7-9-21)11-15(22)13-23-14-16-3-2-10-24-16/h2-5,10,15,22H,6-9,11-14H2,1H3/t15-/m1/s1
InChIKeyQWIQRQYWKZUIOZ-OAHLLOKOSA-N
XLogP0.71
TPSA66.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-1-(furan-2-ylmethoxy)-3-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(furan-2-ylmethoxy)-3-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-(furan-2-ylmethoxy)-3-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-2-ol (CID 95313186) is (2R)-1-(furan-2-ylmethoxy)-3-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(furan-2-ylmethoxy)-3-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(furan-2-ylmethoxy)-3-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-2-ol is Cn1ccnc1CN1CCN(C[C@@H](O)COCc2ccco2)CC1.
What is the InChIKey of (2R)-1-(furan-2-ylmethoxy)-3-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is QWIQRQYWKZUIOZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-19-5-4-18-17(19)12-21-8-6-20(7-9-21)11-15(22)13-23-14-16-3-2-10-24-16/h2-5,10,15,22H,6-9,11-14H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-1-(furan-2-ylmethoxy)-3-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-2-ol?
(2R)-1-(furan-2-ylmethoxy)-3-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 334.42 g/mol, XLogP of 0.71, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(furan-2-ylmethoxy)-3-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 95313186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).