2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine

C11H15ClN2O — CID 71639891

IUPAC2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine
SMILESClc1ccc(CO[C@@H]2CCCNC2)cn1
InChIInChI=1S/C11H15ClN2O/c12-11-4-3-9(6-14-11)8-15-10-2-1-5-13-7-10/h3-4,6,10,13H,1-2,5,7-8H2/t10-/m1/s1
InChIKeyVHWKUUWNPYVHED-SNVBAGLBSA-N
MW226.71 g/mol
LogP2.00
Rot. Bonds3

About 2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine

2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine (PubChem CID 71639891) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine
PubChem CID71639891
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine
SMILESClc1ccc(CO[C@@H]2CCCNC2)cn1
InChIInChI=1S/C11H15ClN2O/c12-11-4-3-9(6-14-11)8-15-10-2-1-5-13-7-10/h3-4,6,10,13H,1-2,5,7-8H2/t10-/m1/s1
InChIKeyVHWKUUWNPYVHED-SNVBAGLBSA-N
XLogP2.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.00
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

2-chloro-5-[[(3S)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride
CID 71639892
2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride
CID 71639890
3-chloro-6-[[(3R)-piperidin-3-yl]oxymethyl]pyridazine;hydrochloride
CID 71640792
(3R)-3-[(4-propan-2-ylphenyl)methoxy]piperidine
CID 86322666
3-(1H-pyrazol-4-ylmethoxy)piperidine
CID 130569410
(3S)-N-[(6-chloro-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride
CID 71639863
2-chloro-5-(piperidin-3-ylsulfonylmethyl)pyridine
CID 71639929
(3S)-3-(thiophen-3-ylmethoxy)piperidine
CID 66247968
2-bromo-4-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride
CID 71636519
2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]pyridine
CID 97163604
N-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
CID 97163567
N-[(6-chloro-3-pyridinyl)methyl]-1-[(3R)-piperidin-3-yl]methanamine
CID 97163566

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine?
The IUPAC name of 2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine (CID 71639891) is 2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine.
What is the SMILES notation for 2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine?
The canonical SMILES for 2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine is Clc1ccc(CO[C@@H]2CCCNC2)cn1.
What is the InChIKey of 2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine?
The InChIKey is VHWKUUWNPYVHED-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-11-4-3-9(6-14-11)8-15-10-2-1-5-13-7-10/h3-4,6,10,13H,1-2,5,7-8H2/t10-/m1/s1.
What are the key properties of 2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine?
2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine has a molecular weight of 226.71 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine is sourced from PubChem (CID 71639891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).