4-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]morpholine

C20H30N2O — CID 11313056

IUPAC4-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]morpholine
SMILESc1cc(C2CC(CN3CCOCC3)C2)ccc1CN1CCCC1
InChIInChI=1S/C20H30N2O/c1-2-8-21(7-1)15-17-3-5-19(6-4-17)20-13-18(14-20)16-22-9-11-23-12-10-22/h3-6,18,20H,1-2,7-16H2
InChIKeyBDXDCBULHQLRER-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.11
Rot. Bonds5

About 4-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]morpholine

4-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]morpholine (PubChem CID 11313056) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 4-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]morpholine
PubChem CID11313056
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name4-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]morpholine
SMILESc1cc(C2CC(CN3CCOCC3)C2)ccc1CN1CCCC1
InChIInChI=1S/C20H30N2O/c1-2-8-21(7-1)15-17-3-5-19(6-4-17)20-13-18(14-20)16-22-9-11-23-12-10-22/h3-6,18,20H,1-2,7-16H2
InChIKeyBDXDCBULHQLRER-UHFFFAOYSA-N
XLogP3.11
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]morpholine?
The IUPAC name of 4-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]morpholine (CID 11313056) is 4-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]morpholine.
What is the SMILES notation for 4-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]morpholine?
The canonical SMILES for 4-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]morpholine is c1cc(C2CC(CN3CCOCC3)C2)ccc1CN1CCCC1.
What is the InChIKey of 4-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]morpholine?
The InChIKey is BDXDCBULHQLRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-2-8-21(7-1)15-17-3-5-19(6-4-17)20-13-18(14-20)16-22-9-11-23-12-10-22/h3-6,18,20H,1-2,7-16H2.
What are the key properties of 4-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]morpholine?
4-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]morpholine has a molecular weight of 314.47 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]morpholine is sourced from PubChem (CID 11313056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).