4-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]morpholine

C20H28N2O — CID 10193234

IUPAC4-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]morpholine
SMILESC(#Cc1ccc(CN2CCOCC2)cc1)CCN1CCCCC1
InChIInChI=1S/C20H28N2O/c1-3-11-21(12-4-1)13-5-2-6-19-7-9-20(10-8-19)18-22-14-16-23-17-15-22/h7-10H,1,3-5,11-18H2
InChIKeyQTHFIFDZWPIKFW-UHFFFAOYSA-N
MW312.46 g/mol
LogP2.75
Rot. Bonds4

About 4-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]morpholine

4-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]morpholine (PubChem CID 10193234) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 4-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]morpholine
PubChem CID10193234
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name4-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]morpholine
SMILESC(#Cc1ccc(CN2CCOCC2)cc1)CCN1CCCCC1
InChIInChI=1S/C20H28N2O/c1-3-11-21(12-4-1)13-5-2-6-19-7-9-20(10-8-19)18-22-14-16-23-17-15-22/h7-10H,1,3-5,11-18H2
InChIKeyQTHFIFDZWPIKFW-UHFFFAOYSA-N
XLogP2.75
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]morpholine (CID 10193234) is 4-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]morpholine is C(#Cc1ccc(CN2CCOCC2)cc1)CCN1CCCCC1.
What is the InChIKey of 4-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]morpholine?
The InChIKey is QTHFIFDZWPIKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-3-11-21(12-4-1)13-5-2-6-19-7-9-20(10-8-19)18-22-14-16-23-17-15-22/h7-10H,1,3-5,11-18H2.
What are the key properties of 4-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]morpholine?
4-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]morpholine has a molecular weight of 312.46 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]morpholine is sourced from PubChem (CID 10193234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).