4-(1H-imidazol-5-ylmethyl)-1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine

C24H36N4O — CID 10475883

IUPAC4-(1H-imidazol-5-ylmethyl)-1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine
SMILESc1ncc(CC2CCN(CCCOc3ccc(CN4CCCCC4)cc3)CC2)[nH]1
InChIInChI=1S/C24H36N4O/c1-2-11-28(12-3-1)19-22-5-7-24(8-6-22)29-16-4-13-27-14-9-21(10-15-27)17-23-18-25-20-26-23/h5-8,18,20-21H,1-4,9-17,19H2,(H,25,26)
InChIKeyAVPZIXKJIIIBCX-UHFFFAOYSA-N
MW396.58 g/mol
LogP4.12
Rot. Bonds9

About 4-(1H-imidazol-5-ylmethyl)-1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine

4-(1H-imidazol-5-ylmethyl)-1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine (PubChem CID 10475883) has the molecular formula C24H36N4O and a molecular weight of 396.58 g/mol. Its IUPAC name is 4-(1H-imidazol-5-ylmethyl)-1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine.

Molecular Properties

Compound Name4-(1H-imidazol-5-ylmethyl)-1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine
PubChem CID10475883
Molecular FormulaC24H36N4O
Molecular Weight396.58 g/mol
Exact Mass396.29
IUPAC Name4-(1H-imidazol-5-ylmethyl)-1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine
SMILESc1ncc(CC2CCN(CCCOc3ccc(CN4CCCCC4)cc3)CC2)[nH]1
InChIInChI=1S/C24H36N4O/c1-2-11-28(12-3-1)19-22-5-7-24(8-6-22)29-16-4-13-27-14-9-21(10-15-27)17-23-18-25-20-26-23/h5-8,18,20-21H,1-4,9-17,19H2,(H,25,26)
InChIKeyAVPZIXKJIIIBCX-UHFFFAOYSA-N
XLogP4.12
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.12
H-Bond Donors ≤ 51
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-(1H-imidazol-5-ylmethyl)-1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine?
The IUPAC name of 4-(1H-imidazol-5-ylmethyl)-1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine (CID 10475883) is 4-(1H-imidazol-5-ylmethyl)-1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine.
What is the SMILES notation for 4-(1H-imidazol-5-ylmethyl)-1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine?
The canonical SMILES for 4-(1H-imidazol-5-ylmethyl)-1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine is c1ncc(CC2CCN(CCCOc3ccc(CN4CCCCC4)cc3)CC2)[nH]1.
What is the InChIKey of 4-(1H-imidazol-5-ylmethyl)-1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine?
The InChIKey is AVPZIXKJIIIBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O/c1-2-11-28(12-3-1)19-22-5-7-24(8-6-22)29-16-4-13-27-14-9-21(10-15-27)17-23-18-25-20-26-23/h5-8,18,20-21H,1-4,9-17,19H2,(H,25,26).
What are the key properties of 4-(1H-imidazol-5-ylmethyl)-1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine?
4-(1H-imidazol-5-ylmethyl)-1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine has a molecular weight of 396.58 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-ylmethyl)-1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine is sourced from PubChem (CID 10475883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).