5-benzyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride

C17H21ClN2O — CID 69004873

IUPAC5-benzyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride
SMILESCl.c1ccc(Cc2ccc(OC[C@@H]3CCCN3)nc2)cc1
InChIInChI=1S/C17H20N2O.ClH/c1-2-5-14(6-3-1)11-15-8-9-17(19-12-15)20-13-16-7-4-10-18-16;/h1-3,5-6,8-9,12,16,18H,4,7,10-11,13H2;1H/t16-;/m0./s1
InChIKeyDRLVHGGXXCHTRY-NTISSMGPSA-N
MW304.82 g/mol
LogP3.22
Rot. Bonds5

About 5-benzyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride

5-benzyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride (PubChem CID 69004873) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 5-benzyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride.

Molecular Properties

Compound Name5-benzyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride
PubChem CID69004873
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name5-benzyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride
SMILESCl.c1ccc(Cc2ccc(OC[C@@H]3CCCN3)nc2)cc1
InChIInChI=1S/C17H20N2O.ClH/c1-2-5-14(6-3-1)11-15-8-9-17(19-12-15)20-13-16-7-4-10-18-16;/h1-3,5-6,8-9,12,16,18H,4,7,10-11,13H2;1H/t16-;/m0./s1
InChIKeyDRLVHGGXXCHTRY-NTISSMGPSA-N
XLogP3.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62347925
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3-[[(2R)-pyrrolidin-2-yl]methoxy]pyridazine;hydrochloride
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2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride
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3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride
CID 138393569
2-chloro-5-(pyrrolidin-2-ylmethoxymethyl)pyridine
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3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
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(2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine
CID 28750068
hydron;(2R)-2-[[4-[(4-iodophenyl)methyl]phenoxy]methyl]pyrrolidine;chloride
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CID 71636954

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride?
The IUPAC name of 5-benzyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride (CID 69004873) is 5-benzyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride.
What is the SMILES notation for 5-benzyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride?
The canonical SMILES for 5-benzyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride is Cl.c1ccc(Cc2ccc(OC[C@@H]3CCCN3)nc2)cc1.
What is the InChIKey of 5-benzyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride?
The InChIKey is DRLVHGGXXCHTRY-NTISSMGPSA-N. The full InChI is InChI=1S/C17H20N2O.ClH/c1-2-5-14(6-3-1)11-15-8-9-17(19-12-15)20-13-16-7-4-10-18-16;/h1-3,5-6,8-9,12,16,18H,4,7,10-11,13H2;1H/t16-;/m0./s1.
What are the key properties of 5-benzyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride?
5-benzyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride is sourced from PubChem (CID 69004873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).