4-[1-(2-methylpropyl)piperidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine

C19H38N4O — CID 166776882

IUPAC4-[1-(2-methylpropyl)piperidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine
SMILESCC(C)CN1CCC(N2CCOC(CCN3CCNCC3)C2)CC1
InChIInChI=1S/C19H38N4O/c1-17(2)15-22-8-3-18(4-9-22)23-13-14-24-19(16-23)5-10-21-11-6-20-7-12-21/h17-20H,3-16H2,1-2H3
InChIKeyWEHBDZYHIZJCRP-UHFFFAOYSA-N
MW338.54 g/mol
LogP1.10
Rot. Bonds6

About 4-[1-(2-methylpropyl)piperidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine

4-[1-(2-methylpropyl)piperidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine (PubChem CID 166776882) has the molecular formula C19H38N4O and a molecular weight of 338.54 g/mol. Its IUPAC name is 4-[1-(2-methylpropyl)piperidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine.

Molecular Properties

Compound Name4-[1-(2-methylpropyl)piperidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine
PubChem CID166776882
Molecular FormulaC19H38N4O
Molecular Weight338.54 g/mol
Exact Mass338.30
IUPAC Name4-[1-(2-methylpropyl)piperidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine
SMILESCC(C)CN1CCC(N2CCOC(CCN3CCNCC3)C2)CC1
InChIInChI=1S/C19H38N4O/c1-17(2)15-22-8-3-18(4-9-22)23-13-14-24-19(16-23)5-10-21-11-6-20-7-12-21/h17-20H,3-16H2,1-2H3
InChIKeyWEHBDZYHIZJCRP-UHFFFAOYSA-N
XLogP1.10
TPSA30.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methylpropyl)piperidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine?
The IUPAC name of 4-[1-(2-methylpropyl)piperidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine (CID 166776882) is 4-[1-(2-methylpropyl)piperidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine.
What is the SMILES notation for 4-[1-(2-methylpropyl)piperidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine?
The canonical SMILES for 4-[1-(2-methylpropyl)piperidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine is CC(C)CN1CCC(N2CCOC(CCN3CCNCC3)C2)CC1.
What is the InChIKey of 4-[1-(2-methylpropyl)piperidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine?
The InChIKey is WEHBDZYHIZJCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O/c1-17(2)15-22-8-3-18(4-9-22)23-13-14-24-19(16-23)5-10-21-11-6-20-7-12-21/h17-20H,3-16H2,1-2H3.
What are the key properties of 4-[1-(2-methylpropyl)piperidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine?
4-[1-(2-methylpropyl)piperidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine has a molecular weight of 338.54 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methylpropyl)piperidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine is sourced from PubChem (CID 166776882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).