1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-one

C20H30N2O2 — CID 86294834

IUPAC1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-one
SMILESO=C1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C20H30N2O2/c23-19-9-14-22(15-10-19)17-18-5-7-20(8-6-18)24-16-4-13-21-11-2-1-3-12-21/h5-8H,1-4,9-17H2
InChIKeyMWKQIJJXRDAVAB-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.11
Rot. Bonds7

About 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-one

1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-one (PubChem CID 86294834) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-one.

Molecular Properties

Compound Name1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-one
PubChem CID86294834
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-one
SMILESO=C1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C20H30N2O2/c23-19-9-14-22(15-10-19)17-18-5-7-20(8-6-18)24-16-4-13-21-11-2-1-3-12-21/h5-8H,1-4,9-17H2
InChIKeyMWKQIJJXRDAVAB-UHFFFAOYSA-N
XLogP3.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.11
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 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-one?
The IUPAC name of 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-one (CID 86294834) is 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-one.
What is the SMILES notation for 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-one?
The canonical SMILES for 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-one is O=C1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1.
What is the InChIKey of 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-one?
The InChIKey is MWKQIJJXRDAVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c23-19-9-14-22(15-10-19)17-18-5-7-20(8-6-18)24-16-4-13-21-11-2-1-3-12-21/h5-8H,1-4,9-17H2.
What are the key properties of 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-one?
1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-one has a molecular weight of 330.47 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-one is sourced from PubChem (CID 86294834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).