4-imidazol-1-yl-1-methylpiperidine;4-imidazol-1-ylpiperidine

C17H28N6 — CID 161369180

IUPAC4-imidazol-1-yl-1-methylpiperidine;4-imidazol-1-ylpiperidine
SMILESCN1CCC(n2ccnc2)CC1.c1cn(C2CCNCC2)cn1
InChIInChI=1S/C9H15N3.C8H13N3/c1-11-5-2-9(3-6-11)12-7-4-10-8-12;1-3-9-4-2-8(1)11-6-5-10-7-11/h4,7-9H,2-3,5-6H2,1H3;5-9H,1-4H2
InChIKeyVQFSEWHOYXQOLZ-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.96
Rot. Bonds2

About 4-imidazol-1-yl-1-methylpiperidine;4-imidazol-1-ylpiperidine

4-imidazol-1-yl-1-methylpiperidine;4-imidazol-1-ylpiperidine (PubChem CID 161369180) has the molecular formula C17H28N6 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-methylpiperidine;4-imidazol-1-ylpiperidine.

Molecular Properties

Compound Name4-imidazol-1-yl-1-methylpiperidine;4-imidazol-1-ylpiperidine
PubChem CID161369180
Molecular FormulaC17H28N6
Molecular Weight316.45 g/mol
Exact Mass316.24
IUPAC Name4-imidazol-1-yl-1-methylpiperidine;4-imidazol-1-ylpiperidine
SMILESCN1CCC(n2ccnc2)CC1.c1cn(C2CCNCC2)cn1
InChIInChI=1S/C9H15N3.C8H13N3/c1-11-5-2-9(3-6-11)12-7-4-10-8-12;1-3-9-4-2-8(1)11-6-5-10-7-11/h4,7-9H,2-3,5-6H2,1H3;5-9H,1-4H2
InChIKeyVQFSEWHOYXQOLZ-UHFFFAOYSA-N
XLogP1.96
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-methylpiperidine;4-imidazol-1-ylpiperidine?
The IUPAC name of 4-imidazol-1-yl-1-methylpiperidine;4-imidazol-1-ylpiperidine (CID 161369180) is 4-imidazol-1-yl-1-methylpiperidine;4-imidazol-1-ylpiperidine.
What is the SMILES notation for 4-imidazol-1-yl-1-methylpiperidine;4-imidazol-1-ylpiperidine?
The canonical SMILES for 4-imidazol-1-yl-1-methylpiperidine;4-imidazol-1-ylpiperidine is CN1CCC(n2ccnc2)CC1.c1cn(C2CCNCC2)cn1.
What is the InChIKey of 4-imidazol-1-yl-1-methylpiperidine;4-imidazol-1-ylpiperidine?
The InChIKey is VQFSEWHOYXQOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.C8H13N3/c1-11-5-2-9(3-6-11)12-7-4-10-8-12;1-3-9-4-2-8(1)11-6-5-10-7-11/h4,7-9H,2-3,5-6H2,1H3;5-9H,1-4H2.
What are the key properties of 4-imidazol-1-yl-1-methylpiperidine;4-imidazol-1-ylpiperidine?
4-imidazol-1-yl-1-methylpiperidine;4-imidazol-1-ylpiperidine has a molecular weight of 316.45 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-methylpiperidine;4-imidazol-1-ylpiperidine is sourced from PubChem (CID 161369180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).