2-bromo-4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride

C12H18BrClN2O — CID 71636294

IUPAC2-bromo-4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride
SMILESBrc1cc(COCC2CCNCC2)ccn1.Cl
InChIInChI=1S/C12H17BrN2O.ClH/c13-12-7-11(3-6-15-12)9-16-8-10-1-4-14-5-2-10;/h3,6-7,10,14H,1-2,4-5,8-9H2;1H
InChIKeyCRMVKEHMCIKXRN-UHFFFAOYSA-N
MW321.65 g/mol
LogP2.78
Rot. Bonds4

About 2-bromo-4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride

2-bromo-4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride (PubChem CID 71636294) has the molecular formula C12H18BrClN2O and a molecular weight of 321.65 g/mol. Its IUPAC name is 2-bromo-4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride.

Molecular Properties

Compound Name2-bromo-4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride
PubChem CID71636294
Molecular FormulaC12H18BrClN2O
Molecular Weight321.65 g/mol
Exact Mass320.03
IUPAC Name2-bromo-4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride
SMILESBrc1cc(COCC2CCNCC2)ccn1.Cl
InChIInChI=1S/C12H17BrN2O.ClH/c13-12-7-11(3-6-15-12)9-16-8-10-1-4-14-5-2-10;/h3,6-7,10,14H,1-2,4-5,8-9H2;1H
InChIKeyCRMVKEHMCIKXRN-UHFFFAOYSA-N
XLogP2.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.65
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride
CID 71637005
2-bromo-4-(3-piperidin-3-ylpropoxymethyl)pyridine;hydrochloride
CID 71636545
2-bromo-4-[2-[(3R)-piperidin-3-yl]ethoxymethyl]pyridine
CID 97178263
2-bromo-4-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride
CID 71636519
4-[(4-ethylphenyl)methoxymethyl]piperidine
CID 55060614
4-[(3,5-dimethylphenyl)methoxymethyl]piperidine
CID 62340390
(3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine
CID 86321723
[4-(cyclohexylmethoxymethyl)-2-pyridinyl]methanamine
CID 63882665
4-(piperidin-3-ylmethoxymethyl)pyridine-2-carbonitrile
CID 63880785
methyl 2-[3-(piperidin-4-ylmethoxymethyl)phenyl]acetate;hydrochloride
CID 68928528
2-bromo-5-(piperidin-4-ylmethoxy)pyridine;hydrochloride
CID 118109642
4-(cyclohexylmethoxymethyl)-N-methylpyridin-2-amine
CID 62468185

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride?
The IUPAC name of 2-bromo-4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride (CID 71636294) is 2-bromo-4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride.
What is the SMILES notation for 2-bromo-4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride?
The canonical SMILES for 2-bromo-4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride is Brc1cc(COCC2CCNCC2)ccn1.Cl.
What is the InChIKey of 2-bromo-4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride?
The InChIKey is CRMVKEHMCIKXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O.ClH/c13-12-7-11(3-6-15-12)9-16-8-10-1-4-14-5-2-10;/h3,6-7,10,14H,1-2,4-5,8-9H2;1H.
What are the key properties of 2-bromo-4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride?
2-bromo-4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride has a molecular weight of 321.65 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride is sourced from PubChem (CID 71636294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).