ethane;3-[1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-yl]oxycyclobutan-1-ol

C21H38N4O2 — CID 156720332

IUPACethane;3-[1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-yl]oxycyclobutan-1-ol
SMILESCC.CN1CCC(n2cnc(CN3CCC(OC4CC(O)C4)CC3)c2)CC1
InChIInChI=1S/C19H32N4O2.C2H6/c1-21-6-2-16(3-7-21)23-13-15(20-14-23)12-22-8-4-18(5-9-22)25-19-10-17(24)11-19;1-2/h13-14,16-19,24H,2-12H2,1H3;1-2H3
InChIKeyUHJZKFIXUBOKBO-UHFFFAOYSA-N
MW378.56 g/mol
LogP2.68
Rot. Bonds5

About ethane;3-[1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-yl]oxycyclobutan-1-ol

ethane;3-[1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-yl]oxycyclobutan-1-ol (PubChem CID 156720332) has the molecular formula C21H38N4O2 and a molecular weight of 378.56 g/mol. Its IUPAC name is ethane;3-[1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-yl]oxycyclobutan-1-ol.

Molecular Properties

Compound Nameethane;3-[1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-yl]oxycyclobutan-1-ol
PubChem CID156720332
Molecular FormulaC21H38N4O2
Molecular Weight378.56 g/mol
Exact Mass378.30
IUPAC Nameethane;3-[1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-yl]oxycyclobutan-1-ol
SMILESCC.CN1CCC(n2cnc(CN3CCC(OC4CC(O)C4)CC3)c2)CC1
InChIInChI=1S/C19H32N4O2.C2H6/c1-21-6-2-16(3-7-21)23-13-15(20-14-23)12-22-8-4-18(5-9-22)25-19-10-17(24)11-19;1-2/h13-14,16-19,24H,2-12H2,1H3;1-2H3
InChIKeyUHJZKFIXUBOKBO-UHFFFAOYSA-N
XLogP2.68
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-yl]oxycyclobutan-1-ol?
The IUPAC name of ethane;3-[1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-yl]oxycyclobutan-1-ol (CID 156720332) is ethane;3-[1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-yl]oxycyclobutan-1-ol.
What is the SMILES notation for ethane;3-[1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-yl]oxycyclobutan-1-ol?
The canonical SMILES for ethane;3-[1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-yl]oxycyclobutan-1-ol is CC.CN1CCC(n2cnc(CN3CCC(OC4CC(O)C4)CC3)c2)CC1.
What is the InChIKey of ethane;3-[1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-yl]oxycyclobutan-1-ol?
The InChIKey is UHJZKFIXUBOKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2.C2H6/c1-21-6-2-16(3-7-21)23-13-15(20-14-23)12-22-8-4-18(5-9-22)25-19-10-17(24)11-19;1-2/h13-14,16-19,24H,2-12H2,1H3;1-2H3.
What are the key properties of ethane;3-[1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-yl]oxycyclobutan-1-ol?
ethane;3-[1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-yl]oxycyclobutan-1-ol has a molecular weight of 378.56 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-yl]oxycyclobutan-1-ol is sourced from PubChem (CID 156720332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).