4-(1H-imidazol-5-ylmethyl)piperidine;dihydrobromide

C9H17Br2N3 — CID 22315065

IUPAC4-(1H-imidazol-5-ylmethyl)piperidine;dihydrobromide
SMILESBr.Br.c1ncc(CC2CCNCC2)[nH]1
InChIInChI=1S/C9H15N3.2BrH/c1-3-10-4-2-8(1)5-9-6-11-7-12-9;;/h6-8,10H,1-5H2,(H,11,12);2*1H
InChIKeyYGNJPNRDGXJQJX-UHFFFAOYSA-N
MW327.06 g/mol
LogP2.11
Rot. Bonds2

About 4-(1H-imidazol-5-ylmethyl)piperidine;dihydrobromide

4-(1H-imidazol-5-ylmethyl)piperidine;dihydrobromide (PubChem CID 22315065) has the molecular formula C9H17Br2N3 and a molecular weight of 327.06 g/mol. Its IUPAC name is 4-(1H-imidazol-5-ylmethyl)piperidine;dihydrobromide.

Molecular Properties

Compound Name4-(1H-imidazol-5-ylmethyl)piperidine;dihydrobromide
PubChem CID22315065
Molecular FormulaC9H17Br2N3
Molecular Weight327.06 g/mol
Exact Mass324.98
IUPAC Name4-(1H-imidazol-5-ylmethyl)piperidine;dihydrobromide
SMILESBr.Br.c1ncc(CC2CCNCC2)[nH]1
InChIInChI=1S/C9H15N3.2BrH/c1-3-10-4-2-8(1)5-9-6-11-7-12-9;;/h6-8,10H,1-5H2,(H,11,12);2*1H
InChIKeyYGNJPNRDGXJQJX-UHFFFAOYSA-N
XLogP2.11
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.06
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-ylmethyl)piperidine;dihydrobromide?
The IUPAC name of 4-(1H-imidazol-5-ylmethyl)piperidine;dihydrobromide (CID 22315065) is 4-(1H-imidazol-5-ylmethyl)piperidine;dihydrobromide.
What is the SMILES notation for 4-(1H-imidazol-5-ylmethyl)piperidine;dihydrobromide?
The canonical SMILES for 4-(1H-imidazol-5-ylmethyl)piperidine;dihydrobromide is Br.Br.c1ncc(CC2CCNCC2)[nH]1.
What is the InChIKey of 4-(1H-imidazol-5-ylmethyl)piperidine;dihydrobromide?
The InChIKey is YGNJPNRDGXJQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.2BrH/c1-3-10-4-2-8(1)5-9-6-11-7-12-9;;/h6-8,10H,1-5H2,(H,11,12);2*1H.
What are the key properties of 4-(1H-imidazol-5-ylmethyl)piperidine;dihydrobromide?
4-(1H-imidazol-5-ylmethyl)piperidine;dihydrobromide has a molecular weight of 327.06 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-ylmethyl)piperidine;dihydrobromide is sourced from PubChem (CID 22315065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).