1-[4-(1H-imidazol-5-yl)butyl]piperidine

C12H21N3 — CID 11629829

IUPAC1-[4-(1H-imidazol-5-yl)butyl]piperidine
SMILESc1ncc(CCCCN2CCCCC2)[nH]1
InChIInChI=1S/C12H21N3/c1-3-7-15(8-4-1)9-5-2-6-12-10-13-11-14-12/h10-11H,1-9H2,(H,13,14)
InChIKeyQPMSLQGYNLIUOH-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.22
Rot. Bonds5

About 1-[4-(1H-imidazol-5-yl)butyl]piperidine

1-[4-(1H-imidazol-5-yl)butyl]piperidine (PubChem CID 11629829) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[4-(1H-imidazol-5-yl)butyl]piperidine.

Molecular Properties

Compound Name1-[4-(1H-imidazol-5-yl)butyl]piperidine
PubChem CID11629829
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-[4-(1H-imidazol-5-yl)butyl]piperidine
SMILESc1ncc(CCCCN2CCCCC2)[nH]1
InChIInChI=1S/C12H21N3/c1-3-7-15(8-4-1)9-5-2-6-12-10-13-11-14-12/h10-11H,1-9H2,(H,13,14)
InChIKeyQPMSLQGYNLIUOH-UHFFFAOYSA-N
XLogP2.22
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1H-imidazol-5-yl)butyl]piperidine?
The IUPAC name of 1-[4-(1H-imidazol-5-yl)butyl]piperidine (CID 11629829) is 1-[4-(1H-imidazol-5-yl)butyl]piperidine.
What is the SMILES notation for 1-[4-(1H-imidazol-5-yl)butyl]piperidine?
The canonical SMILES for 1-[4-(1H-imidazol-5-yl)butyl]piperidine is c1ncc(CCCCN2CCCCC2)[nH]1.
What is the InChIKey of 1-[4-(1H-imidazol-5-yl)butyl]piperidine?
The InChIKey is QPMSLQGYNLIUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-7-15(8-4-1)9-5-2-6-12-10-13-11-14-12/h10-11H,1-9H2,(H,13,14).
What are the key properties of 1-[4-(1H-imidazol-5-yl)butyl]piperidine?
1-[4-(1H-imidazol-5-yl)butyl]piperidine has a molecular weight of 207.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-imidazol-5-yl)butyl]piperidine is sourced from PubChem (CID 11629829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).