4-pentylmorpholine;1-pentylpiperazine

C18H39N3O — CID 90792061

IUPAC4-pentylmorpholine;1-pentylpiperazine
SMILESCCCCCN1CCNCC1.CCCCCN1CCOCC1
InChIInChI=1S/C9H20N2.C9H19NO/c1-2-3-4-7-11-8-5-10-6-9-11;1-2-3-4-5-10-6-8-11-9-7-10/h10H,2-9H2,1H3;2-9H2,1H3
InChIKeyQKKADLUGIKPULO-UHFFFAOYSA-N
MW313.53 g/mol
LogP2.59
Rot. Bonds8

About 4-pentylmorpholine;1-pentylpiperazine

4-pentylmorpholine;1-pentylpiperazine (PubChem CID 90792061) has the molecular formula C18H39N3O and a molecular weight of 313.53 g/mol. Its IUPAC name is 4-pentylmorpholine;1-pentylpiperazine.

Molecular Properties

Compound Name4-pentylmorpholine;1-pentylpiperazine
PubChem CID90792061
Molecular FormulaC18H39N3O
Molecular Weight313.53 g/mol
Exact Mass313.31
IUPAC Name4-pentylmorpholine;1-pentylpiperazine
SMILESCCCCCN1CCNCC1.CCCCCN1CCOCC1
InChIInChI=1S/C9H20N2.C9H19NO/c1-2-3-4-7-11-8-5-10-6-9-11;1-2-3-4-5-10-6-8-11-9-7-10/h10H,2-9H2,1H3;2-9H2,1H3
InChIKeyQKKADLUGIKPULO-UHFFFAOYSA-N
XLogP2.59
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-pentylmorpholine;1-pentylpiperazine?
The IUPAC name of 4-pentylmorpholine;1-pentylpiperazine (CID 90792061) is 4-pentylmorpholine;1-pentylpiperazine.
What is the SMILES notation for 4-pentylmorpholine;1-pentylpiperazine?
The canonical SMILES for 4-pentylmorpholine;1-pentylpiperazine is CCCCCN1CCNCC1.CCCCCN1CCOCC1.
What is the InChIKey of 4-pentylmorpholine;1-pentylpiperazine?
The InChIKey is QKKADLUGIKPULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C9H19NO/c1-2-3-4-7-11-8-5-10-6-9-11;1-2-3-4-5-10-6-8-11-9-7-10/h10H,2-9H2,1H3;2-9H2,1H3.
What are the key properties of 4-pentylmorpholine;1-pentylpiperazine?
4-pentylmorpholine;1-pentylpiperazine has a molecular weight of 313.53 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentylmorpholine;1-pentylpiperazine is sourced from PubChem (CID 90792061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).