1-[2-(3-tetradecyl-2H-imidazol-1-yl)ethyl]piperidine

C24H47N3 — CID 151830043

IUPAC1-[2-(3-tetradecyl-2H-imidazol-1-yl)ethyl]piperidine
SMILESCCCCCCCCCCCCCCN1C=CN(CCN2CCCCC2)C1
InChIInChI=1S/C24H47N3/c1-2-3-4-5-6-7-8-9-10-11-12-14-19-26-22-23-27(24-26)21-20-25-17-15-13-16-18-25/h22-23H,2-21,24H2,1H3
InChIKeySELKBDCNZWHHRJ-UHFFFAOYSA-N
MW377.66 g/mol
LogP6.22
Rot. Bonds16

About 1-[2-(3-tetradecyl-2H-imidazol-1-yl)ethyl]piperidine

1-[2-(3-tetradecyl-2H-imidazol-1-yl)ethyl]piperidine (PubChem CID 151830043) has the molecular formula C24H47N3 and a molecular weight of 377.66 g/mol. Its IUPAC name is 1-[2-(3-tetradecyl-2H-imidazol-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(3-tetradecyl-2H-imidazol-1-yl)ethyl]piperidine
PubChem CID151830043
Molecular FormulaC24H47N3
Molecular Weight377.66 g/mol
Exact Mass377.38
IUPAC Name1-[2-(3-tetradecyl-2H-imidazol-1-yl)ethyl]piperidine
SMILESCCCCCCCCCCCCCCN1C=CN(CCN2CCCCC2)C1
InChIInChI=1S/C24H47N3/c1-2-3-4-5-6-7-8-9-10-11-12-14-19-26-22-23-27(24-26)21-20-25-17-15-13-16-18-25/h22-23H,2-21,24H2,1H3
InChIKeySELKBDCNZWHHRJ-UHFFFAOYSA-N
XLogP6.22
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.66
LogP ≤ 56.22
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 1-[2-(3-tetradecyl-2H-imidazol-1-yl)ethyl]piperidine?
The IUPAC name of 1-[2-(3-tetradecyl-2H-imidazol-1-yl)ethyl]piperidine (CID 151830043) is 1-[2-(3-tetradecyl-2H-imidazol-1-yl)ethyl]piperidine.
What is the SMILES notation for 1-[2-(3-tetradecyl-2H-imidazol-1-yl)ethyl]piperidine?
The canonical SMILES for 1-[2-(3-tetradecyl-2H-imidazol-1-yl)ethyl]piperidine is CCCCCCCCCCCCCCN1C=CN(CCN2CCCCC2)C1.
What is the InChIKey of 1-[2-(3-tetradecyl-2H-imidazol-1-yl)ethyl]piperidine?
The InChIKey is SELKBDCNZWHHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47N3/c1-2-3-4-5-6-7-8-9-10-11-12-14-19-26-22-23-27(24-26)21-20-25-17-15-13-16-18-25/h22-23H,2-21,24H2,1H3.
What are the key properties of 1-[2-(3-tetradecyl-2H-imidazol-1-yl)ethyl]piperidine?
1-[2-(3-tetradecyl-2H-imidazol-1-yl)ethyl]piperidine has a molecular weight of 377.66 g/mol, XLogP of 6.22, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-tetradecyl-2H-imidazol-1-yl)ethyl]piperidine is sourced from PubChem (CID 151830043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).