piperidin-1-yl-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]methanone

C26H34N2O2 — CID 56664901

IUPACpiperidin-1-yl-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]methanone
SMILESO=C(c1ccccc1-c1ccc(OCCCN2CCCCC2)cc1)N1CCCCC1
InChIInChI=1S/C26H34N2O2/c29-26(28-19-7-2-8-20-28)25-11-4-3-10-24(25)22-12-14-23(15-13-22)30-21-9-18-27-16-5-1-6-17-27/h3-4,10-15H,1-2,5-9,16-21H2
InChIKeyBCFDOHOQDUCYBU-UHFFFAOYSA-N
MW406.57 g/mol
LogP5.23
Rot. Bonds7

About piperidin-1-yl-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]methanone

piperidin-1-yl-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]methanone (PubChem CID 56664901) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is piperidin-1-yl-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]methanone
PubChem CID56664901
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Namepiperidin-1-yl-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]methanone
SMILESO=C(c1ccccc1-c1ccc(OCCCN2CCCCC2)cc1)N1CCCCC1
InChIInChI=1S/C26H34N2O2/c29-26(28-19-7-2-8-20-28)25-11-4-3-10-24(25)22-12-14-23(15-13-22)30-21-9-18-27-16-5-1-6-17-27/h3-4,10-15H,1-2,5-9,16-21H2
InChIKeyBCFDOHOQDUCYBU-UHFFFAOYSA-N
XLogP5.23
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 piperidin-1-yl-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]methanone?
The IUPAC name of piperidin-1-yl-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]methanone (CID 56664901) is piperidin-1-yl-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]methanone.
What is the SMILES notation for piperidin-1-yl-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]methanone?
The canonical SMILES for piperidin-1-yl-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]methanone is O=C(c1ccccc1-c1ccc(OCCCN2CCCCC2)cc1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]methanone?
The InChIKey is BCFDOHOQDUCYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c29-26(28-19-7-2-8-20-28)25-11-4-3-10-24(25)22-12-14-23(15-13-22)30-21-9-18-27-16-5-1-6-17-27/h3-4,10-15H,1-2,5-9,16-21H2.
What are the key properties of piperidin-1-yl-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]methanone?
piperidin-1-yl-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]methanone has a molecular weight of 406.57 g/mol, XLogP of 5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]methanone is sourced from PubChem (CID 56664901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).