4-[(3S)-1-benzylpyrrolidin-3-yl]morpholine

C15H22N2O — CID 59079684

IUPAC4-[(3S)-1-benzylpyrrolidin-3-yl]morpholine
SMILESc1ccc(CN2CC[C@H](N3CCOCC3)C2)cc1
InChIInChI=1S/C15H22N2O/c1-2-4-14(5-3-1)12-16-7-6-15(13-16)17-8-10-18-11-9-17/h1-5,15H,6-13H2/t15-/m0/s1
InChIKeyRWCVUCABYYOWJT-HNNXBMFYSA-N
MW246.35 g/mol
LogP1.59
Rot. Bonds3

About 4-[(3S)-1-benzylpyrrolidin-3-yl]morpholine

4-[(3S)-1-benzylpyrrolidin-3-yl]morpholine (PubChem CID 59079684) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-[(3S)-1-benzylpyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[(3S)-1-benzylpyrrolidin-3-yl]morpholine
PubChem CID59079684
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-[(3S)-1-benzylpyrrolidin-3-yl]morpholine
SMILESc1ccc(CN2CC[C@H](N3CCOCC3)C2)cc1
InChIInChI=1S/C15H22N2O/c1-2-4-14(5-3-1)12-16-7-6-15(13-16)17-8-10-18-11-9-17/h1-5,15H,6-13H2/t15-/m0/s1
InChIKeyRWCVUCABYYOWJT-HNNXBMFYSA-N
XLogP1.59
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-benzylpyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[(3S)-1-benzylpyrrolidin-3-yl]morpholine (CID 59079684) is 4-[(3S)-1-benzylpyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[(3S)-1-benzylpyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[(3S)-1-benzylpyrrolidin-3-yl]morpholine is c1ccc(CN2CC[C@H](N3CCOCC3)C2)cc1.
What is the InChIKey of 4-[(3S)-1-benzylpyrrolidin-3-yl]morpholine?
The InChIKey is RWCVUCABYYOWJT-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-4-14(5-3-1)12-16-7-6-15(13-16)17-8-10-18-11-9-17/h1-5,15H,6-13H2/t15-/m0/s1.
What are the key properties of 4-[(3S)-1-benzylpyrrolidin-3-yl]morpholine?
4-[(3S)-1-benzylpyrrolidin-3-yl]morpholine has a molecular weight of 246.35 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-benzylpyrrolidin-3-yl]morpholine is sourced from PubChem (CID 59079684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).