1-(2-phenylmethoxy-3-pyrrolidin-1-ylpropyl)pyrrolidine

C18H28N2O — CID 757920

IUPAC1-(2-phenylmethoxy-3-pyrrolidin-1-ylpropyl)pyrrolidine
SMILESc1ccc(COC(CN2CCCC2)CN2CCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-2-8-17(9-3-1)16-21-18(14-19-10-4-5-11-19)15-20-12-6-7-13-20/h1-3,8-9,18H,4-7,10-16H2
InChIKeyIBMPUALBEUMVNC-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.76
Rot. Bonds7

About 1-(2-phenylmethoxy-3-pyrrolidin-1-ylpropyl)pyrrolidine

1-(2-phenylmethoxy-3-pyrrolidin-1-ylpropyl)pyrrolidine (PubChem CID 757920) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(2-phenylmethoxy-3-pyrrolidin-1-ylpropyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-phenylmethoxy-3-pyrrolidin-1-ylpropyl)pyrrolidine
PubChem CID757920
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-(2-phenylmethoxy-3-pyrrolidin-1-ylpropyl)pyrrolidine
SMILESc1ccc(COC(CN2CCCC2)CN2CCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-2-8-17(9-3-1)16-21-18(14-19-10-4-5-11-19)15-20-12-6-7-13-20/h1-3,8-9,18H,4-7,10-16H2
InChIKeyIBMPUALBEUMVNC-UHFFFAOYSA-N
XLogP2.76
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylmethoxy-3-pyrrolidin-1-ylpropyl)pyrrolidine?
The IUPAC name of 1-(2-phenylmethoxy-3-pyrrolidin-1-ylpropyl)pyrrolidine (CID 757920) is 1-(2-phenylmethoxy-3-pyrrolidin-1-ylpropyl)pyrrolidine.
What is the SMILES notation for 1-(2-phenylmethoxy-3-pyrrolidin-1-ylpropyl)pyrrolidine?
The canonical SMILES for 1-(2-phenylmethoxy-3-pyrrolidin-1-ylpropyl)pyrrolidine is c1ccc(COC(CN2CCCC2)CN2CCCC2)cc1.
What is the InChIKey of 1-(2-phenylmethoxy-3-pyrrolidin-1-ylpropyl)pyrrolidine?
The InChIKey is IBMPUALBEUMVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-8-17(9-3-1)16-21-18(14-19-10-4-5-11-19)15-20-12-6-7-13-20/h1-3,8-9,18H,4-7,10-16H2.
What are the key properties of 1-(2-phenylmethoxy-3-pyrrolidin-1-ylpropyl)pyrrolidine?
1-(2-phenylmethoxy-3-pyrrolidin-1-ylpropyl)pyrrolidine has a molecular weight of 288.43 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylmethoxy-3-pyrrolidin-1-ylpropyl)pyrrolidine is sourced from PubChem (CID 757920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).