4-[2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propyl]morpholine

C16H28N4O — CID 114719163

IUPAC4-[2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propyl]morpholine
SMILESCC(CN1CCOCC1)n1cncc1C1(C)CCNCC1
InChIInChI=1S/C16H28N4O/c1-14(12-19-7-9-21-10-8-19)20-13-18-11-15(20)16(2)3-5-17-6-4-16/h11,13-14,17H,3-10,12H2,1-2H3
InChIKeyPLQUFRWGKKPCQK-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.42
Rot. Bonds4

About 4-[2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propyl]morpholine

4-[2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propyl]morpholine (PubChem CID 114719163) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-[2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propyl]morpholine
PubChem CID114719163
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-[2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propyl]morpholine
SMILESCC(CN1CCOCC1)n1cncc1C1(C)CCNCC1
InChIInChI=1S/C16H28N4O/c1-14(12-19-7-9-21-10-8-19)20-13-18-11-15(20)16(2)3-5-17-6-4-16/h11,13-14,17H,3-10,12H2,1-2H3
InChIKeyPLQUFRWGKKPCQK-UHFFFAOYSA-N
XLogP1.42
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propyl]morpholine (CID 114719163) is 4-[2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propyl]morpholine is CC(CN1CCOCC1)n1cncc1C1(C)CCNCC1.
What is the InChIKey of 4-[2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propyl]morpholine?
The InChIKey is PLQUFRWGKKPCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-14(12-19-7-9-21-10-8-19)20-13-18-11-15(20)16(2)3-5-17-6-4-16/h11,13-14,17H,3-10,12H2,1-2H3.
What are the key properties of 4-[2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propyl]morpholine?
4-[2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propyl]morpholine has a molecular weight of 292.43 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propyl]morpholine is sourced from PubChem (CID 114719163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).