4-[phenyl-(2-pyrrolidin-1-ylcyclohexyl)methyl]morpholine

C21H32N2O — CID 21110196

IUPAC4-[phenyl-(2-pyrrolidin-1-ylcyclohexyl)methyl]morpholine
SMILESc1ccc(C(C2CCCCC2N2CCCC2)N2CCOCC2)cc1
InChIInChI=1S/C21H32N2O/c1-2-8-18(9-3-1)21(23-14-16-24-17-15-23)19-10-4-5-11-20(19)22-12-6-7-13-22/h1-3,8-9,19-21H,4-7,10-17H2
InChIKeyDYAYPYUZZFUKQN-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.71
Rot. Bonds4

About 4-[phenyl-(2-pyrrolidin-1-ylcyclohexyl)methyl]morpholine

4-[phenyl-(2-pyrrolidin-1-ylcyclohexyl)methyl]morpholine (PubChem CID 21110196) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 4-[phenyl-(2-pyrrolidin-1-ylcyclohexyl)methyl]morpholine.

Molecular Properties

Compound Name4-[phenyl-(2-pyrrolidin-1-ylcyclohexyl)methyl]morpholine
PubChem CID21110196
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name4-[phenyl-(2-pyrrolidin-1-ylcyclohexyl)methyl]morpholine
SMILESc1ccc(C(C2CCCCC2N2CCCC2)N2CCOCC2)cc1
InChIInChI=1S/C21H32N2O/c1-2-8-18(9-3-1)21(23-14-16-24-17-15-23)19-10-4-5-11-20(19)22-12-6-7-13-22/h1-3,8-9,19-21H,4-7,10-17H2
InChIKeyDYAYPYUZZFUKQN-UHFFFAOYSA-N
XLogP3.71
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[phenyl-(2-pyrrolidin-1-ylcyclohexyl)methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[phenyl-(2-pyrrolidin-1-ylcyclohexyl)methyl]morpholine?
The IUPAC name of 4-[phenyl-(2-pyrrolidin-1-ylcyclohexyl)methyl]morpholine (CID 21110196) is 4-[phenyl-(2-pyrrolidin-1-ylcyclohexyl)methyl]morpholine.
What is the SMILES notation for 4-[phenyl-(2-pyrrolidin-1-ylcyclohexyl)methyl]morpholine?
The canonical SMILES for 4-[phenyl-(2-pyrrolidin-1-ylcyclohexyl)methyl]morpholine is c1ccc(C(C2CCCCC2N2CCCC2)N2CCOCC2)cc1.
What is the InChIKey of 4-[phenyl-(2-pyrrolidin-1-ylcyclohexyl)methyl]morpholine?
The InChIKey is DYAYPYUZZFUKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-2-8-18(9-3-1)21(23-14-16-24-17-15-23)19-10-4-5-11-20(19)22-12-6-7-13-22/h1-3,8-9,19-21H,4-7,10-17H2.
What are the key properties of 4-[phenyl-(2-pyrrolidin-1-ylcyclohexyl)methyl]morpholine?
4-[phenyl-(2-pyrrolidin-1-ylcyclohexyl)methyl]morpholine has a molecular weight of 328.50 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[phenyl-(2-pyrrolidin-1-ylcyclohexyl)methyl]morpholine is sourced from PubChem (CID 21110196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).