1-butyl-4-(1H-imidazol-2-yl)piperidine

C12H20N3- — CID 58602941

IUPAC1-butyl-4-(1H-imidazol-2-yl)piperidine
SMILES[CH2-]CCCN1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C12H20N3/c1-2-3-8-15-9-4-11(5-10-15)12-13-6-7-14-12/h6-7,11H,1-5,8-10H2,(H,13,14)/q-1
InChIKeyMFFXBYGOIZQUCT-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.20
Rot. Bonds4

About 1-butyl-4-(1H-imidazol-2-yl)piperidine

1-butyl-4-(1H-imidazol-2-yl)piperidine (PubChem CID 58602941) has the molecular formula C12H20N3- and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-butyl-4-(1H-imidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-butyl-4-(1H-imidazol-2-yl)piperidine
PubChem CID58602941
Molecular FormulaC12H20N3-
Molecular Weight206.31 g/mol
Exact Mass206.17
IUPAC Name1-butyl-4-(1H-imidazol-2-yl)piperidine
SMILES[CH2-]CCCN1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C12H20N3/c1-2-3-8-15-9-4-11(5-10-15)12-13-6-7-14-12/h6-7,11H,1-5,8-10H2,(H,13,14)/q-1
InChIKeyMFFXBYGOIZQUCT-UHFFFAOYSA-N
XLogP2.20
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(1H-imidazol-2-yl)piperidine?
The IUPAC name of 1-butyl-4-(1H-imidazol-2-yl)piperidine (CID 58602941) is 1-butyl-4-(1H-imidazol-2-yl)piperidine.
What is the SMILES notation for 1-butyl-4-(1H-imidazol-2-yl)piperidine?
The canonical SMILES for 1-butyl-4-(1H-imidazol-2-yl)piperidine is [CH2-]CCCN1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of 1-butyl-4-(1H-imidazol-2-yl)piperidine?
The InChIKey is MFFXBYGOIZQUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N3/c1-2-3-8-15-9-4-11(5-10-15)12-13-6-7-14-12/h6-7,11H,1-5,8-10H2,(H,13,14)/q-1.
What are the key properties of 1-butyl-4-(1H-imidazol-2-yl)piperidine?
1-butyl-4-(1H-imidazol-2-yl)piperidine has a molecular weight of 206.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(1H-imidazol-2-yl)piperidine is sourced from PubChem (CID 58602941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).