2-bromo-4-(3-piperidin-3-ylpropoxymethyl)pyridine;hydrochloride

C14H22BrClN2O — CID 71636545

IUPAC2-bromo-4-(3-piperidin-3-ylpropoxymethyl)pyridine;hydrochloride
SMILESBrc1cc(COCCCC2CCCNC2)ccn1.Cl
InChIInChI=1S/C14H21BrN2O.ClH/c15-14-9-13(5-7-17-14)11-18-8-2-4-12-3-1-6-16-10-12;/h5,7,9,12,16H,1-4,6,8,10-11H2;1H
InChIKeyCJWVFOPKZOXCHZ-UHFFFAOYSA-N
MW349.70 g/mol
LogP3.56
Rot. Bonds6

About 2-bromo-4-(3-piperidin-3-ylpropoxymethyl)pyridine;hydrochloride

2-bromo-4-(3-piperidin-3-ylpropoxymethyl)pyridine;hydrochloride (PubChem CID 71636545) has the molecular formula C14H22BrClN2O and a molecular weight of 349.70 g/mol. Its IUPAC name is 2-bromo-4-(3-piperidin-3-ylpropoxymethyl)pyridine;hydrochloride.

Molecular Properties

Compound Name2-bromo-4-(3-piperidin-3-ylpropoxymethyl)pyridine;hydrochloride
PubChem CID71636545
Molecular FormulaC14H22BrClN2O
Molecular Weight349.70 g/mol
Exact Mass348.06
IUPAC Name2-bromo-4-(3-piperidin-3-ylpropoxymethyl)pyridine;hydrochloride
SMILESBrc1cc(COCCCC2CCCNC2)ccn1.Cl
InChIInChI=1S/C14H21BrN2O.ClH/c15-14-9-13(5-7-17-14)11-18-8-2-4-12-3-1-6-16-10-12;/h5,7,9,12,16H,1-4,6,8,10-11H2;1H
InChIKeyCJWVFOPKZOXCHZ-UHFFFAOYSA-N
XLogP3.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.70
LogP ≤ 53.56
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-[2-[(3R)-piperidin-3-yl]ethoxymethyl]pyridine
CID 97178263
2-bromo-4-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride
CID 71636519
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-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 56830508
(3S)-3-[2-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 86321717
4-methyl-2-(3-piperidin-3-ylpropoxy)pyridine;hydrochloride
CID 71638615
4-(piperidin-3-ylmethoxymethyl)pyridine-2-carbonitrile
CID 63880785
(3S)-3-(2-phenylmethoxyethyl)piperidine
CID 26192382
(3R)-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 71641627
(3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine
CID 86321735
4-(2-piperidin-3-ylethyl)pyridin-2-amine;dihydrochloride
CID 167995844

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3-piperidin-3-ylpropoxymethyl)pyridine;hydrochloride?
The IUPAC name of 2-bromo-4-(3-piperidin-3-ylpropoxymethyl)pyridine;hydrochloride (CID 71636545) is 2-bromo-4-(3-piperidin-3-ylpropoxymethyl)pyridine;hydrochloride.
What is the SMILES notation for 2-bromo-4-(3-piperidin-3-ylpropoxymethyl)pyridine;hydrochloride?
The canonical SMILES for 2-bromo-4-(3-piperidin-3-ylpropoxymethyl)pyridine;hydrochloride is Brc1cc(COCCCC2CCCNC2)ccn1.Cl.
What is the InChIKey of 2-bromo-4-(3-piperidin-3-ylpropoxymethyl)pyridine;hydrochloride?
The InChIKey is CJWVFOPKZOXCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O.ClH/c15-14-9-13(5-7-17-14)11-18-8-2-4-12-3-1-6-16-10-12;/h5,7,9,12,16H,1-4,6,8,10-11H2;1H.
What are the key properties of 2-bromo-4-(3-piperidin-3-ylpropoxymethyl)pyridine;hydrochloride?
2-bromo-4-(3-piperidin-3-ylpropoxymethyl)pyridine;hydrochloride has a molecular weight of 349.70 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3-piperidin-3-ylpropoxymethyl)pyridine;hydrochloride is sourced from PubChem (CID 71636545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).