4-[2-(4-methylpiperidin-1-yl)-8-piperazin-1-ylnonan-5-yl]morpholine

C23H46N4O — CID 130368449

IUPAC4-[2-(4-methylpiperidin-1-yl)-8-piperazin-1-ylnonan-5-yl]morpholine
SMILESCC1CCN(C(C)CCC(CCC(C)N2CCNCC2)N2CCOCC2)CC1
InChIInChI=1S/C23H46N4O/c1-20-8-12-25(13-9-20)21(2)4-6-23(27-16-18-28-19-17-27)7-5-22(3)26-14-10-24-11-15-26/h20-24H,4-19H2,1-3H3
InChIKeyVSKDAQZXVNDCPK-UHFFFAOYSA-N
MW394.65 g/mol
LogP2.66
Rot. Bonds9

About 4-[2-(4-methylpiperidin-1-yl)-8-piperazin-1-ylnonan-5-yl]morpholine

4-[2-(4-methylpiperidin-1-yl)-8-piperazin-1-ylnonan-5-yl]morpholine (PubChem CID 130368449) has the molecular formula C23H46N4O and a molecular weight of 394.65 g/mol. Its IUPAC name is 4-[2-(4-methylpiperidin-1-yl)-8-piperazin-1-ylnonan-5-yl]morpholine.

Molecular Properties

Compound Name4-[2-(4-methylpiperidin-1-yl)-8-piperazin-1-ylnonan-5-yl]morpholine
PubChem CID130368449
Molecular FormulaC23H46N4O
Molecular Weight394.65 g/mol
Exact Mass394.37
IUPAC Name4-[2-(4-methylpiperidin-1-yl)-8-piperazin-1-ylnonan-5-yl]morpholine
SMILESCC1CCN(C(C)CCC(CCC(C)N2CCNCC2)N2CCOCC2)CC1
InChIInChI=1S/C23H46N4O/c1-20-8-12-25(13-9-20)21(2)4-6-23(27-16-18-28-19-17-27)7-5-22(3)26-14-10-24-11-15-26/h20-24H,4-19H2,1-3H3
InChIKeyVSKDAQZXVNDCPK-UHFFFAOYSA-N
XLogP2.66
TPSA30.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.65
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylpiperidin-1-yl)-8-piperazin-1-ylnonan-5-yl]morpholine?
The IUPAC name of 4-[2-(4-methylpiperidin-1-yl)-8-piperazin-1-ylnonan-5-yl]morpholine (CID 130368449) is 4-[2-(4-methylpiperidin-1-yl)-8-piperazin-1-ylnonan-5-yl]morpholine.
What is the SMILES notation for 4-[2-(4-methylpiperidin-1-yl)-8-piperazin-1-ylnonan-5-yl]morpholine?
The canonical SMILES for 4-[2-(4-methylpiperidin-1-yl)-8-piperazin-1-ylnonan-5-yl]morpholine is CC1CCN(C(C)CCC(CCC(C)N2CCNCC2)N2CCOCC2)CC1.
What is the InChIKey of 4-[2-(4-methylpiperidin-1-yl)-8-piperazin-1-ylnonan-5-yl]morpholine?
The InChIKey is VSKDAQZXVNDCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N4O/c1-20-8-12-25(13-9-20)21(2)4-6-23(27-16-18-28-19-17-27)7-5-22(3)26-14-10-24-11-15-26/h20-24H,4-19H2,1-3H3.
What are the key properties of 4-[2-(4-methylpiperidin-1-yl)-8-piperazin-1-ylnonan-5-yl]morpholine?
4-[2-(4-methylpiperidin-1-yl)-8-piperazin-1-ylnonan-5-yl]morpholine has a molecular weight of 394.65 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylpiperidin-1-yl)-8-piperazin-1-ylnonan-5-yl]morpholine is sourced from PubChem (CID 130368449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).