1-[5-(1H-imidazol-5-yl)pentyl]piperidine

C13H23N3 — CID 11622672

IUPAC1-[5-(1H-imidazol-5-yl)pentyl]piperidine
SMILESc1ncc(CCCCCN2CCCCC2)[nH]1
InChIInChI=1S/C13H23N3/c1(3-7-13-11-14-12-15-13)4-8-16-9-5-2-6-10-16/h11-12H,1-10H2,(H,14,15)
InChIKeyLOULPFANPPCWQM-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.61
Rot. Bonds6

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

1-[5-(1H-imidazol-5-yl)pentyl]piperidine (PubChem CID 11622672) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-[5-(1H-imidazol-5-yl)pentyl]piperidine.

Molecular Properties

Compound Name1-[5-(1H-imidazol-5-yl)pentyl]piperidine
PubChem CID11622672
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-[5-(1H-imidazol-5-yl)pentyl]piperidine
SMILESc1ncc(CCCCCN2CCCCC2)[nH]1
InChIInChI=1S/C13H23N3/c1(3-7-13-11-14-12-15-13)4-8-16-9-5-2-6-10-16/h11-12H,1-10H2,(H,14,15)
InChIKeyLOULPFANPPCWQM-UHFFFAOYSA-N
XLogP2.61
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.61
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-[5-(1H-imidazol-5-yl)pentyl]piperidine?
The IUPAC name of 1-[5-(1H-imidazol-5-yl)pentyl]piperidine (CID 11622672) is 1-[5-(1H-imidazol-5-yl)pentyl]piperidine.
What is the SMILES notation for 1-[5-(1H-imidazol-5-yl)pentyl]piperidine?
The canonical SMILES for 1-[5-(1H-imidazol-5-yl)pentyl]piperidine is c1ncc(CCCCCN2CCCCC2)[nH]1.
What is the InChIKey of 1-[5-(1H-imidazol-5-yl)pentyl]piperidine?
The InChIKey is LOULPFANPPCWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1(3-7-13-11-14-12-15-13)4-8-16-9-5-2-6-10-16/h11-12H,1-10H2,(H,14,15).
What are the key properties of 1-[5-(1H-imidazol-5-yl)pentyl]piperidine?
1-[5-(1H-imidazol-5-yl)pentyl]piperidine has a molecular weight of 221.35 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1H-imidazol-5-yl)pentyl]piperidine is sourced from PubChem (CID 11622672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).