cyclobutanol;ethane;2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanol;propane

C22H49N3O2 — CID 156719822

IUPACcyclobutanol;ethane;2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanol;propane
SMILESCC.CCC.OC1CCC1.OCCN1CCC(CCN2CCNCC2)CC1
InChIInChI=1S/C13H27N3O.C4H8O.C3H8.C2H6/c17-12-11-15-6-1-13(2-7-15)3-8-16-9-4-14-5-10-16;5-4-2-1-3-4;1-3-2;1-2/h13-14,17H,1-12H2;4-5H,1-3H2;3H2,1-2H3;1-2H3
InChIKeySNOZDKPBKOEDBU-UHFFFAOYSA-N
MW387.65 g/mol
LogP2.96
Rot. Bonds5

About cyclobutanol;ethane;2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanol;propane

cyclobutanol;ethane;2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanol;propane (PubChem CID 156719822) has the molecular formula C22H49N3O2 and a molecular weight of 387.65 g/mol. Its IUPAC name is cyclobutanol;ethane;2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanol;propane.

Molecular Properties

Compound Namecyclobutanol;ethane;2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanol;propane
PubChem CID156719822
Molecular FormulaC22H49N3O2
Molecular Weight387.65 g/mol
Exact Mass387.38
IUPAC Namecyclobutanol;ethane;2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanol;propane
SMILESCC.CCC.OC1CCC1.OCCN1CCC(CCN2CCNCC2)CC1
InChIInChI=1S/C13H27N3O.C4H8O.C3H8.C2H6/c17-12-11-15-6-1-13(2-7-15)3-8-16-9-4-14-5-10-16;5-4-2-1-3-4;1-3-2;1-2/h13-14,17H,1-12H2;4-5H,1-3H2;3H2,1-2H3;1-2H3
InChIKeySNOZDKPBKOEDBU-UHFFFAOYSA-N
XLogP2.96
TPSA58.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.65
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclobutanol;ethane;2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanol;propane?
The IUPAC name of cyclobutanol;ethane;2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanol;propane (CID 156719822) is cyclobutanol;ethane;2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanol;propane.
What is the SMILES notation for cyclobutanol;ethane;2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanol;propane?
The canonical SMILES for cyclobutanol;ethane;2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanol;propane is CC.CCC.OC1CCC1.OCCN1CCC(CCN2CCNCC2)CC1.
What is the InChIKey of cyclobutanol;ethane;2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanol;propane?
The InChIKey is SNOZDKPBKOEDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.C4H8O.C3H8.C2H6/c17-12-11-15-6-1-13(2-7-15)3-8-16-9-4-14-5-10-16;5-4-2-1-3-4;1-3-2;1-2/h13-14,17H,1-12H2;4-5H,1-3H2;3H2,1-2H3;1-2H3.
What are the key properties of cyclobutanol;ethane;2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanol;propane?
cyclobutanol;ethane;2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanol;propane has a molecular weight of 387.65 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutanol;ethane;2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanol;propane is sourced from PubChem (CID 156719822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).