4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine;dihydrobromide

C12H23Br2N3 — CID 11210868

IUPAC4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine;dihydrobromide
SMILESBr.Br.CC(C)N1CCC(Cc2cnc[nH]2)CC1
InChIInChI=1S/C12H21N3.2BrH/c1-10(2)15-5-3-11(4-6-15)7-12-8-13-9-14-12;;/h8-11H,3-7H2,1-2H3,(H,13,14);2*1H
InChIKeyHPZYWPPLKMVAGG-UHFFFAOYSA-N
MW369.15 g/mol
LogP3.23
Rot. Bonds3

About 4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine;dihydrobromide

4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine;dihydrobromide (PubChem CID 11210868) has the molecular formula C12H23Br2N3 and a molecular weight of 369.15 g/mol. Its IUPAC name is 4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine;dihydrobromide.

Molecular Properties

Compound Name4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine;dihydrobromide
PubChem CID11210868
Molecular FormulaC12H23Br2N3
Molecular Weight369.15 g/mol
Exact Mass367.03
IUPAC Name4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine;dihydrobromide
SMILESBr.Br.CC(C)N1CCC(Cc2cnc[nH]2)CC1
InChIInChI=1S/C12H21N3.2BrH/c1-10(2)15-5-3-11(4-6-15)7-12-8-13-9-14-12;;/h8-11H,3-7H2,1-2H3,(H,13,14);2*1H
InChIKeyHPZYWPPLKMVAGG-UHFFFAOYSA-N
XLogP3.23
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.15
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-(1H-imidazol-5-ylmethyl)piperidine
CID 11164099
1-benzyl-4-(1H-imidazol-5-ylmethyl)piperidine
CID 11327520
[(3R)-3-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-methylborinic acid
CID 59880709
5-[[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-1H-imidazole
CID 59976346
5-(1,2,3,3a,4,5,6,6a-octahydropentalen-2-ylmethyl)-1H-imidazole;hydrochloride
CID 162333788
4-benzyl-1-(1H-imidazol-5-ylmethyl)piperidine
CID 141030931
[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]methanol
CID 115092392
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
(3R)-3-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride
CID 169426845
4-(fluoromethyl)-1-(1H-imidazol-5-ylmethyl)piperidine
CID 154760047
6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine
CID 117105486
1-butan-2-yl-4-(1H-imidazol-5-yl)piperidine
CID 167991940

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine;dihydrobromide?
The IUPAC name of 4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine;dihydrobromide (CID 11210868) is 4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine;dihydrobromide.
What is the SMILES notation for 4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine;dihydrobromide?
The canonical SMILES for 4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine;dihydrobromide is Br.Br.CC(C)N1CCC(Cc2cnc[nH]2)CC1.
What is the InChIKey of 4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine;dihydrobromide?
The InChIKey is HPZYWPPLKMVAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3.2BrH/c1-10(2)15-5-3-11(4-6-15)7-12-8-13-9-14-12;;/h8-11H,3-7H2,1-2H3,(H,13,14);2*1H.
What are the key properties of 4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine;dihydrobromide?
4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine;dihydrobromide has a molecular weight of 369.15 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine;dihydrobromide is sourced from PubChem (CID 11210868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).