4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]morpholine

C24H38N2O2 — CID 11977494

IUPAC4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]morpholine
SMILESc1cc(C2CCC(N3CCOCC3)CC2)ccc1OCCCN1CCCCC1
InChIInChI=1S/C24H38N2O2/c1-2-13-25(14-3-1)15-4-18-28-24-11-7-22(8-12-24)21-5-9-23(10-6-21)26-16-19-27-20-17-26/h7-8,11-12,21,23H,1-6,9-10,13-20H2
InChIKeyNFMCJKWXWBIFGH-UHFFFAOYSA-N
MW386.58 g/mol
LogP4.30
Rot. Bonds7

About 4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]morpholine

4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]morpholine (PubChem CID 11977494) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is 4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]morpholine.

Molecular Properties

Compound Name4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]morpholine
PubChem CID11977494
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC Name4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]morpholine
SMILESc1cc(C2CCC(N3CCOCC3)CC2)ccc1OCCCN1CCCCC1
InChIInChI=1S/C24H38N2O2/c1-2-13-25(14-3-1)15-4-18-28-24-11-7-22(8-12-24)21-5-9-23(10-6-21)26-16-19-27-20-17-26/h7-8,11-12,21,23H,1-6,9-10,13-20H2
InChIKeyNFMCJKWXWBIFGH-UHFFFAOYSA-N
XLogP4.30
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]morpholine?
The IUPAC name of 4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]morpholine (CID 11977494) is 4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]morpholine.
What is the SMILES notation for 4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]morpholine?
The canonical SMILES for 4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]morpholine is c1cc(C2CCC(N3CCOCC3)CC2)ccc1OCCCN1CCCCC1.
What is the InChIKey of 4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]morpholine?
The InChIKey is NFMCJKWXWBIFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O2/c1-2-13-25(14-3-1)15-4-18-28-24-11-7-22(8-12-24)21-5-9-23(10-6-21)26-16-19-27-20-17-26/h7-8,11-12,21,23H,1-6,9-10,13-20H2.
What are the key properties of 4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]morpholine?
4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]morpholine has a molecular weight of 386.58 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]morpholine is sourced from PubChem (CID 11977494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).