4-(3-imidazol-1-ylpropoxy)piperidine

C11H19N3O — CID 61492936

IUPAC4-(3-imidazol-1-ylpropoxy)piperidine
SMILESc1cn(CCCOC2CCNCC2)cn1
InChIInChI=1S/C11H19N3O/c1(7-14-8-6-13-10-14)9-15-11-2-4-12-5-3-11/h6,8,10-12H,1-5,7,9H2
InChIKeyXLUPTOZKVYHSCO-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.04
Rot. Bonds5

About 4-(3-imidazol-1-ylpropoxy)piperidine

4-(3-imidazol-1-ylpropoxy)piperidine (PubChem CID 61492936) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(3-imidazol-1-ylpropoxy)piperidine.

Molecular Properties

Compound Name4-(3-imidazol-1-ylpropoxy)piperidine
PubChem CID61492936
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-(3-imidazol-1-ylpropoxy)piperidine
SMILESc1cn(CCCOC2CCNCC2)cn1
InChIInChI=1S/C11H19N3O/c1(7-14-8-6-13-10-14)9-15-11-2-4-12-5-3-11/h6,8,10-12H,1-5,7,9H2
InChIKeyXLUPTOZKVYHSCO-UHFFFAOYSA-N
XLogP1.04
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.04
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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Related Compounds

3-(1H-imidazol-1-yl)piperidine
CID 50986280
4-(1H-imidazol-1-yl)piperidine
CID 15789922
N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide
CID 71894042
4-[2-(1H-imidazol-1-yl)ethyl]piperidine
CID 13281183
({4-[(1-isopropyl-1H-imidazol-2-yl)methyl]morpholin-2-yl}methyl)amine
CID 56752745
1-[4-[[(1-Ethylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 56779882
(3S*,4R*)-1-[(1-isopropyl-1H-imidazol-2-yl)methyl]-3-methoxypiperidin-4-amine
CID 56865631
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]oxan-4-amine
CID 124616644
3-[1-(1-Ethyl-3-methylimidazol-3-ium-2-yl)piperidin-1-ium-1-yl]propan-1-ol
CID 91217395
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethoxypropan-1-amine
CID 43111961
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(oxolan-2-yl)ethanamine
CID 54917026
1-imidazol-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine
CID 54961765

Frequently Asked Questions

What is the IUPAC name of 4-(3-imidazol-1-ylpropoxy)piperidine?
The IUPAC name of 4-(3-imidazol-1-ylpropoxy)piperidine (CID 61492936) is 4-(3-imidazol-1-ylpropoxy)piperidine.
What is the SMILES notation for 4-(3-imidazol-1-ylpropoxy)piperidine?
The canonical SMILES for 4-(3-imidazol-1-ylpropoxy)piperidine is c1cn(CCCOC2CCNCC2)cn1.
What is the InChIKey of 4-(3-imidazol-1-ylpropoxy)piperidine?
The InChIKey is XLUPTOZKVYHSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1(7-14-8-6-13-10-14)9-15-11-2-4-12-5-3-11/h6,8,10-12H,1-5,7,9H2.
What are the key properties of 4-(3-imidazol-1-ylpropoxy)piperidine?
4-(3-imidazol-1-ylpropoxy)piperidine has a molecular weight of 209.29 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-imidazol-1-ylpropoxy)piperidine is sourced from PubChem (CID 61492936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).