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

C22H42N4O2 — CID 156720356

IUPACethane;methoxycyclobutane;1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-ol
SMILESCC.CN1CCC(n2cnc(CN3CCC(O)CC3)c2)CC1.COC1CCC1
InChIInChI=1S/C15H26N4O.C5H10O.C2H6/c1-17-6-2-14(3-7-17)19-11-13(16-12-19)10-18-8-4-15(20)5-9-18;1-6-5-3-2-4-5;1-2/h11-12,14-15,20H,2-10H2,1H3;5H,2-4H2,1H3;1-2H3
InChIKeySMRKKFPKPLHMAY-UHFFFAOYSA-N
MW394.60 g/mol
LogP3.32
Rot. Bonds4

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

ethane;methoxycyclobutane;1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-ol (PubChem CID 156720356) has the molecular formula C22H42N4O2 and a molecular weight of 394.60 g/mol. Its IUPAC name is ethane;methoxycyclobutane;1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Nameethane;methoxycyclobutane;1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-ol
PubChem CID156720356
Molecular FormulaC22H42N4O2
Molecular Weight394.60 g/mol
Exact Mass394.33
IUPAC Nameethane;methoxycyclobutane;1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-ol
SMILESCC.CN1CCC(n2cnc(CN3CCC(O)CC3)c2)CC1.COC1CCC1
InChIInChI=1S/C15H26N4O.C5H10O.C2H6/c1-17-6-2-14(3-7-17)19-11-13(16-12-19)10-18-8-4-15(20)5-9-18;1-6-5-3-2-4-5;1-2/h11-12,14-15,20H,2-10H2,1H3;5H,2-4H2,1H3;1-2H3
InChIKeySMRKKFPKPLHMAY-UHFFFAOYSA-N
XLogP3.32
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.60
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethane;methoxycyclobutane;1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;methoxycyclobutane;1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-ol?
The IUPAC name of ethane;methoxycyclobutane;1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-ol (CID 156720356) is ethane;methoxycyclobutane;1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-ol.
What is the SMILES notation for ethane;methoxycyclobutane;1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-ol?
The canonical SMILES for ethane;methoxycyclobutane;1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-ol is CC.CN1CCC(n2cnc(CN3CCC(O)CC3)c2)CC1.COC1CCC1.
What is the InChIKey of ethane;methoxycyclobutane;1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-ol?
The InChIKey is SMRKKFPKPLHMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O.C5H10O.C2H6/c1-17-6-2-14(3-7-17)19-11-13(16-12-19)10-18-8-4-15(20)5-9-18;1-6-5-3-2-4-5;1-2/h11-12,14-15,20H,2-10H2,1H3;5H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;methoxycyclobutane;1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-ol?
ethane;methoxycyclobutane;1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-ol has a molecular weight of 394.60 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methoxycyclobutane;1-[[1-(1-methylpiperidin-4-yl)imidazol-4-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 156720356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).