4-cyclopentyl-2-[[4-(pyrrolidin-1-ylmethyl)phenoxy]methyl]morpholine

C21H32N2O2 — CID 44581098

IUPAC4-cyclopentyl-2-[[4-(pyrrolidin-1-ylmethyl)phenoxy]methyl]morpholine
SMILESc1cc(OCC2CN(C3CCCC3)CCO2)ccc1CN1CCCC1
InChIInChI=1S/C21H32N2O2/c1-2-6-19(5-1)23-13-14-24-21(16-23)17-25-20-9-7-18(8-10-20)15-22-11-3-4-12-22/h7-10,19,21H,1-6,11-17H2
InChIKeyPBMWBJNBIVVHNL-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.30
Rot. Bonds6

About 4-cyclopentyl-2-[[4-(pyrrolidin-1-ylmethyl)phenoxy]methyl]morpholine

4-cyclopentyl-2-[[4-(pyrrolidin-1-ylmethyl)phenoxy]methyl]morpholine (PubChem CID 44581098) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-cyclopentyl-2-[[4-(pyrrolidin-1-ylmethyl)phenoxy]methyl]morpholine.

Molecular Properties

Compound Name4-cyclopentyl-2-[[4-(pyrrolidin-1-ylmethyl)phenoxy]methyl]morpholine
PubChem CID44581098
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name4-cyclopentyl-2-[[4-(pyrrolidin-1-ylmethyl)phenoxy]methyl]morpholine
SMILESc1cc(OCC2CN(C3CCCC3)CCO2)ccc1CN1CCCC1
InChIInChI=1S/C21H32N2O2/c1-2-6-19(5-1)23-13-14-24-21(16-23)17-25-20-9-7-18(8-10-20)15-22-11-3-4-12-22/h7-10,19,21H,1-6,11-17H2
InChIKeyPBMWBJNBIVVHNL-UHFFFAOYSA-N
XLogP3.30
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-[[4-(pyrrolidin-1-ylmethyl)phenoxy]methyl]morpholine?
The IUPAC name of 4-cyclopentyl-2-[[4-(pyrrolidin-1-ylmethyl)phenoxy]methyl]morpholine (CID 44581098) is 4-cyclopentyl-2-[[4-(pyrrolidin-1-ylmethyl)phenoxy]methyl]morpholine.
What is the SMILES notation for 4-cyclopentyl-2-[[4-(pyrrolidin-1-ylmethyl)phenoxy]methyl]morpholine?
The canonical SMILES for 4-cyclopentyl-2-[[4-(pyrrolidin-1-ylmethyl)phenoxy]methyl]morpholine is c1cc(OCC2CN(C3CCCC3)CCO2)ccc1CN1CCCC1.
What is the InChIKey of 4-cyclopentyl-2-[[4-(pyrrolidin-1-ylmethyl)phenoxy]methyl]morpholine?
The InChIKey is PBMWBJNBIVVHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-2-6-19(5-1)23-13-14-24-21(16-23)17-25-20-9-7-18(8-10-20)15-22-11-3-4-12-22/h7-10,19,21H,1-6,11-17H2.
What are the key properties of 4-cyclopentyl-2-[[4-(pyrrolidin-1-ylmethyl)phenoxy]methyl]morpholine?
4-cyclopentyl-2-[[4-(pyrrolidin-1-ylmethyl)phenoxy]methyl]morpholine has a molecular weight of 344.50 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-[[4-(pyrrolidin-1-ylmethyl)phenoxy]methyl]morpholine is sourced from PubChem (CID 44581098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).