2-bromo-5-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyridine

C14H21BrN2O — CID 97178248

IUPAC2-bromo-5-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyridine
SMILESBrc1ccc(COCCC[C@@H]2CCCCN2)cn1
InChIInChI=1S/C14H21BrN2O/c15-14-7-6-12(10-17-14)11-18-9-3-5-13-4-1-2-8-16-13/h6-7,10,13,16H,1-5,8-9,11H2/t13-/m0/s1
InChIKeyCKRFKYWKUJTPOV-ZDUSSCGKSA-N
MW313.24 g/mol
LogP3.28
Rot. Bonds6

About 2-bromo-5-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyridine

2-bromo-5-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyridine (PubChem CID 97178248) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-bromo-5-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyridine.

Molecular Properties

Compound Name2-bromo-5-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyridine
PubChem CID97178248
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-bromo-5-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyridine
SMILESBrc1ccc(COCCC[C@@H]2CCCCN2)cn1
InChIInChI=1S/C14H21BrN2O/c15-14-7-6-12(10-17-14)11-18-9-3-5-13-4-1-2-8-16-13/h6-7,10,13,16H,1-5,8-9,11H2/t13-/m0/s1
InChIKeyCKRFKYWKUJTPOV-ZDUSSCGKSA-N
XLogP3.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.28
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-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyrazine
CID 97178348
2-chloro-5-[[(2S)-piperidin-2-yl]methoxymethyl]pyridine
CID 97163574
2-[2-[(4-iodophenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56830523
2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine
CID 56830572
2-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56829984
2-chloro-5-(pyrrolidin-2-ylmethoxymethyl)pyridine
CID 71639901
2-[2-(1,3-benzodioxol-5-ylmethoxy)ethyl]piperidine
CID 82354069
3-methyl-5-(2-piperidin-2-ylethoxymethyl)pyridine
CID 102877250
5-bromo-2-(2-piperidin-2-ylethoxy)pyridine;hydrochloride
CID 71636389
4-methyl-2-[3-[(2R)-piperidin-2-yl]propoxy]pyrimidine
CID 97163202
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyridine?
The IUPAC name of 2-bromo-5-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyridine (CID 97178248) is 2-bromo-5-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyridine.
What is the SMILES notation for 2-bromo-5-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyridine?
The canonical SMILES for 2-bromo-5-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyridine is Brc1ccc(COCCC[C@@H]2CCCCN2)cn1.
What is the InChIKey of 2-bromo-5-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyridine?
The InChIKey is CKRFKYWKUJTPOV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21BrN2O/c15-14-7-6-12(10-17-14)11-18-9-3-5-13-4-1-2-8-16-13/h6-7,10,13,16H,1-5,8-9,11H2/t13-/m0/s1.
What are the key properties of 2-bromo-5-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyridine?
2-bromo-5-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyridine has a molecular weight of 313.24 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyridine is sourced from PubChem (CID 97178248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).