1-[3-[1-methyl-5-(piperidin-1-ylmethyl)imidazol-2-yl]oxypropyl]piperidine

C18H32N4O — CID 11515276

IUPAC1-[3-[1-methyl-5-(piperidin-1-ylmethyl)imidazol-2-yl]oxypropyl]piperidine
SMILESCn1c(CN2CCCCC2)cnc1OCCCN1CCCCC1
InChIInChI=1S/C18H32N4O/c1-20-17(16-22-11-6-3-7-12-22)15-19-18(20)23-14-8-13-21-9-4-2-5-10-21/h15H,2-14,16H2,1H3
InChIKeyXAKHPZPFQXXEMQ-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.66
Rot. Bonds7

About 1-[3-[1-methyl-5-(piperidin-1-ylmethyl)imidazol-2-yl]oxypropyl]piperidine

1-[3-[1-methyl-5-(piperidin-1-ylmethyl)imidazol-2-yl]oxypropyl]piperidine (PubChem CID 11515276) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-[3-[1-methyl-5-(piperidin-1-ylmethyl)imidazol-2-yl]oxypropyl]piperidine.

Molecular Properties

Compound Name1-[3-[1-methyl-5-(piperidin-1-ylmethyl)imidazol-2-yl]oxypropyl]piperidine
PubChem CID11515276
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name1-[3-[1-methyl-5-(piperidin-1-ylmethyl)imidazol-2-yl]oxypropyl]piperidine
SMILESCn1c(CN2CCCCC2)cnc1OCCCN1CCCCC1
InChIInChI=1S/C18H32N4O/c1-20-17(16-22-11-6-3-7-12-22)15-19-18(20)23-14-8-13-21-9-4-2-5-10-21/h15H,2-14,16H2,1H3
InChIKeyXAKHPZPFQXXEMQ-UHFFFAOYSA-N
XLogP2.66
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[3-[1-methyl-5-(piperidin-1-ylmethyl)imidazol-2-yl]oxypropyl]piperidine?
The IUPAC name of 1-[3-[1-methyl-5-(piperidin-1-ylmethyl)imidazol-2-yl]oxypropyl]piperidine (CID 11515276) is 1-[3-[1-methyl-5-(piperidin-1-ylmethyl)imidazol-2-yl]oxypropyl]piperidine.
What is the SMILES notation for 1-[3-[1-methyl-5-(piperidin-1-ylmethyl)imidazol-2-yl]oxypropyl]piperidine?
The canonical SMILES for 1-[3-[1-methyl-5-(piperidin-1-ylmethyl)imidazol-2-yl]oxypropyl]piperidine is Cn1c(CN2CCCCC2)cnc1OCCCN1CCCCC1.
What is the InChIKey of 1-[3-[1-methyl-5-(piperidin-1-ylmethyl)imidazol-2-yl]oxypropyl]piperidine?
The InChIKey is XAKHPZPFQXXEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-20-17(16-22-11-6-3-7-12-22)15-19-18(20)23-14-8-13-21-9-4-2-5-10-21/h15H,2-14,16H2,1H3.
What are the key properties of 1-[3-[1-methyl-5-(piperidin-1-ylmethyl)imidazol-2-yl]oxypropyl]piperidine?
1-[3-[1-methyl-5-(piperidin-1-ylmethyl)imidazol-2-yl]oxypropyl]piperidine has a molecular weight of 320.48 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-methyl-5-(piperidin-1-ylmethyl)imidazol-2-yl]oxypropyl]piperidine is sourced from PubChem (CID 11515276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).