4-(imidazol-1-ylmethyl)piperidine;dihydrochloride

C9H17Cl2N3 — CID 53398797

IUPAC4-(imidazol-1-ylmethyl)piperidine;dihydrochloride
SMILESCl.Cl.c1cn(CC2CCNCC2)cn1
InChIInChI=1S/C9H15N3.2ClH/c1-3-10-4-2-9(1)7-12-6-5-11-8-12;;/h5-6,8-10H,1-4,7H2;2*1H
InChIKeyWFCHEWBSRYZNFZ-UHFFFAOYSA-N
MW238.16 g/mol
LogP1.73
Rot. Bonds2

About 4-(imidazol-1-ylmethyl)piperidine;dihydrochloride

4-(imidazol-1-ylmethyl)piperidine;dihydrochloride (PubChem CID 53398797) has the molecular formula C9H17Cl2N3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)piperidine;dihydrochloride.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)piperidine;dihydrochloride
PubChem CID53398797
Molecular FormulaC9H17Cl2N3
Molecular Weight238.16 g/mol
Exact Mass237.08
IUPAC Name4-(imidazol-1-ylmethyl)piperidine;dihydrochloride
SMILESCl.Cl.c1cn(CC2CCNCC2)cn1
InChIInChI=1S/C9H15N3.2ClH/c1-3-10-4-2-9(1)7-12-6-5-11-8-12;;/h5-6,8-10H,1-4,7H2;2*1H
InChIKeyWFCHEWBSRYZNFZ-UHFFFAOYSA-N
XLogP1.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)piperidine;dihydrochloride?
The IUPAC name of 4-(imidazol-1-ylmethyl)piperidine;dihydrochloride (CID 53398797) is 4-(imidazol-1-ylmethyl)piperidine;dihydrochloride.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)piperidine;dihydrochloride?
The canonical SMILES for 4-(imidazol-1-ylmethyl)piperidine;dihydrochloride is Cl.Cl.c1cn(CC2CCNCC2)cn1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)piperidine;dihydrochloride?
The InChIKey is WFCHEWBSRYZNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.2ClH/c1-3-10-4-2-9(1)7-12-6-5-11-8-12;;/h5-6,8-10H,1-4,7H2;2*1H.
What are the key properties of 4-(imidazol-1-ylmethyl)piperidine;dihydrochloride?
4-(imidazol-1-ylmethyl)piperidine;dihydrochloride has a molecular weight of 238.16 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)piperidine;dihydrochloride is sourced from PubChem (CID 53398797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).