2-bromo-4-[2-[(3R)-piperidin-3-yl]ethoxymethyl]pyridine

C13H19BrN2O — CID 97178263

IUPAC2-bromo-4-[2-[(3R)-piperidin-3-yl]ethoxymethyl]pyridine
SMILESBrc1cc(COCC[C@H]2CCCNC2)ccn1
InChIInChI=1S/C13H19BrN2O/c14-13-8-12(3-6-16-13)10-17-7-4-11-2-1-5-15-9-11/h3,6,8,11,15H,1-2,4-5,7,9-10H2/t11-/m1/s1
InChIKeyXQPSAKODHAONRR-LLVKDONJSA-N
MW299.21 g/mol
LogP2.75
Rot. Bonds5

About 2-bromo-4-[2-[(3R)-piperidin-3-yl]ethoxymethyl]pyridine

2-bromo-4-[2-[(3R)-piperidin-3-yl]ethoxymethyl]pyridine (PubChem CID 97178263) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-bromo-4-[2-[(3R)-piperidin-3-yl]ethoxymethyl]pyridine.

Molecular Properties

Compound Name2-bromo-4-[2-[(3R)-piperidin-3-yl]ethoxymethyl]pyridine
PubChem CID97178263
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-bromo-4-[2-[(3R)-piperidin-3-yl]ethoxymethyl]pyridine
SMILESBrc1cc(COCC[C@H]2CCCNC2)ccn1
InChIInChI=1S/C13H19BrN2O/c14-13-8-12(3-6-16-13)10-17-7-4-11-2-1-5-15-9-11/h3,6,8,11,15H,1-2,4-5,7,9-10H2/t11-/m1/s1
InChIKeyXQPSAKODHAONRR-LLVKDONJSA-N
XLogP2.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-(3-piperidin-3-ylpropoxymethyl)pyridine;hydrochloride
CID 71636545
(3S)-3-[2-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 86321717
3-[2-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 56830508
(3S)-3-(2-phenylmethoxyethyl)piperidine
CID 26192382
2-bromo-4-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride
CID 71636519
(3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine
CID 86321735
(3S)-3-[2-[(4-methylphenyl)methoxy]ethyl]piperidine
CID 86320853
2-chloro-4-[2-[(3S)-piperidin-3-yl]ethoxymethyl]pyrimidine
CID 97163935
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
3-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]piperidine
CID 107882752
(3R)-3-[2-[(3,5-dimethoxyphenyl)methoxy]ethyl]piperidine
CID 86321802

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[2-[(3R)-piperidin-3-yl]ethoxymethyl]pyridine?
The IUPAC name of 2-bromo-4-[2-[(3R)-piperidin-3-yl]ethoxymethyl]pyridine (CID 97178263) is 2-bromo-4-[2-[(3R)-piperidin-3-yl]ethoxymethyl]pyridine.
What is the SMILES notation for 2-bromo-4-[2-[(3R)-piperidin-3-yl]ethoxymethyl]pyridine?
The canonical SMILES for 2-bromo-4-[2-[(3R)-piperidin-3-yl]ethoxymethyl]pyridine is Brc1cc(COCC[C@H]2CCCNC2)ccn1.
What is the InChIKey of 2-bromo-4-[2-[(3R)-piperidin-3-yl]ethoxymethyl]pyridine?
The InChIKey is XQPSAKODHAONRR-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19BrN2O/c14-13-8-12(3-6-16-13)10-17-7-4-11-2-1-5-15-9-11/h3,6,8,11,15H,1-2,4-5,7,9-10H2/t11-/m1/s1.
What are the key properties of 2-bromo-4-[2-[(3R)-piperidin-3-yl]ethoxymethyl]pyridine?
2-bromo-4-[2-[(3R)-piperidin-3-yl]ethoxymethyl]pyridine has a molecular weight of 299.21 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[2-[(3R)-piperidin-3-yl]ethoxymethyl]pyridine is sourced from PubChem (CID 97178263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).