2-(4-pyrrolidin-1-ylbutyl)morpholine

C12H24N2O — CID 118611352

IUPAC2-(4-pyrrolidin-1-ylbutyl)morpholine
SMILESC(CCN1CCCC1)CC1CNCCO1
InChIInChI=1S/C12H24N2O/c1(2-7-14-8-3-4-9-14)5-12-11-13-6-10-15-12/h12-13H,1-11H2
InChIKeyDWNFPOXYFYNVFT-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds5

About 2-(4-pyrrolidin-1-ylbutyl)morpholine

2-(4-pyrrolidin-1-ylbutyl)morpholine (PubChem CID 118611352) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(4-pyrrolidin-1-ylbutyl)morpholine.

Molecular Properties

Compound Name2-(4-pyrrolidin-1-ylbutyl)morpholine
PubChem CID118611352
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-(4-pyrrolidin-1-ylbutyl)morpholine
SMILESC(CCN1CCCC1)CC1CNCCO1
InChIInChI=1S/C12H24N2O/c1(2-7-14-8-3-4-9-14)5-12-11-13-6-10-15-12/h12-13H,1-11H2
InChIKeyDWNFPOXYFYNVFT-UHFFFAOYSA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(4-pyrrolidin-1-ylbutyl)morpholine?
The IUPAC name of 2-(4-pyrrolidin-1-ylbutyl)morpholine (CID 118611352) is 2-(4-pyrrolidin-1-ylbutyl)morpholine.
What is the SMILES notation for 2-(4-pyrrolidin-1-ylbutyl)morpholine?
The canonical SMILES for 2-(4-pyrrolidin-1-ylbutyl)morpholine is C(CCN1CCCC1)CC1CNCCO1.
What is the InChIKey of 2-(4-pyrrolidin-1-ylbutyl)morpholine?
The InChIKey is DWNFPOXYFYNVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1(2-7-14-8-3-4-9-14)5-12-11-13-6-10-15-12/h12-13H,1-11H2.
What are the key properties of 2-(4-pyrrolidin-1-ylbutyl)morpholine?
2-(4-pyrrolidin-1-ylbutyl)morpholine has a molecular weight of 212.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-1-ylbutyl)morpholine is sourced from PubChem (CID 118611352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).