2-bromo-4-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride

C11H16BrClN2O — CID 71636519

IUPAC2-bromo-4-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride
SMILESBrc1cc(CO[C@@H]2CCCNC2)ccn1.Cl
InChIInChI=1S/C11H15BrN2O.ClH/c12-11-6-9(3-5-14-11)8-15-10-2-1-4-13-7-10;/h3,5-6,10,13H,1-2,4,7-8H2;1H/t10-;/m1./s1
InChIKeyMDCFZGIZGDMWJC-HNCPQSOCSA-N
MW307.62 g/mol
LogP2.53
Rot. Bonds3

About 2-bromo-4-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride

2-bromo-4-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride (PubChem CID 71636519) has the molecular formula C11H16BrClN2O and a molecular weight of 307.62 g/mol. Its IUPAC name is 2-bromo-4-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride.

Molecular Properties

Compound Name2-bromo-4-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride
PubChem CID71636519
Molecular FormulaC11H16BrClN2O
Molecular Weight307.62 g/mol
Exact Mass306.01
IUPAC Name2-bromo-4-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride
SMILESBrc1cc(CO[C@@H]2CCCNC2)ccn1.Cl
InChIInChI=1S/C11H15BrN2O.ClH/c12-11-6-9(3-5-14-11)8-15-10-2-1-4-13-7-10;/h3,5-6,10,13H,1-2,4,7-8H2;1H/t10-;/m1./s1
InChIKeyMDCFZGIZGDMWJC-HNCPQSOCSA-N
XLogP2.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.62
LogP ≤ 52.53
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

3-[(3-bromophenyl)methoxy]piperidine
CID 53409415
2-bromo-4-(3-piperidin-3-ylpropoxymethyl)pyridine;hydrochloride
CID 71636545
2-bromo-4-[2-[(3R)-piperidin-3-yl]ethoxymethyl]pyridine
CID 97178263
(3S)-3-[(3-bromo-4-methoxyphenyl)methoxy]piperidine
CID 66245010
(3R)-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 71641627
2-chloro-5-[[(3S)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride
CID 71639892
2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride
CID 71639890
2-(piperidin-3-yloxymethyl)pyrimidine
CID 62698252
N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-[(3S)-piperidin-3-yl]methanamine
CID 97164520
N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 71642200
2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine
CID 71639891
2-bromo-4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride
CID 71636294

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride?
The IUPAC name of 2-bromo-4-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride (CID 71636519) is 2-bromo-4-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride.
What is the SMILES notation for 2-bromo-4-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride?
The canonical SMILES for 2-bromo-4-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride is Brc1cc(CO[C@@H]2CCCNC2)ccn1.Cl.
What is the InChIKey of 2-bromo-4-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride?
The InChIKey is MDCFZGIZGDMWJC-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H15BrN2O.ClH/c12-11-6-9(3-5-14-11)8-15-10-2-1-4-13-7-10;/h3,5-6,10,13H,1-2,4,7-8H2;1H/t10-;/m1./s1.
What are the key properties of 2-bromo-4-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride?
2-bromo-4-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride has a molecular weight of 307.62 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride is sourced from PubChem (CID 71636519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).