4-(pyrrolidin-2-ylmethoxymethyl)pyridine;hydrochloride

C11H17ClN2O — CID 71637002

IUPAC4-(pyrrolidin-2-ylmethoxymethyl)pyridine;hydrochloride
SMILESCl.c1cc(COCC2CCCN2)ccn1
InChIInChI=1S/C11H16N2O.ClH/c1-2-11(13-5-1)9-14-8-10-3-6-12-7-4-10;/h3-4,6-7,11,13H,1-2,5,8-9H2;1H
InChIKeyWJJGODZLZUSULS-UHFFFAOYSA-N
MW228.72 g/mol
LogP1.77
Rot. Bonds4

About 4-(pyrrolidin-2-ylmethoxymethyl)pyridine;hydrochloride

4-(pyrrolidin-2-ylmethoxymethyl)pyridine;hydrochloride (PubChem CID 71637002) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 4-(pyrrolidin-2-ylmethoxymethyl)pyridine;hydrochloride.

Molecular Properties

Compound Name4-(pyrrolidin-2-ylmethoxymethyl)pyridine;hydrochloride
PubChem CID71637002
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name4-(pyrrolidin-2-ylmethoxymethyl)pyridine;hydrochloride
SMILESCl.c1cc(COCC2CCCN2)ccn1
InChIInChI=1S/C11H16N2O.ClH/c1-2-11(13-5-1)9-14-8-10-3-6-12-7-4-10;/h3-4,6-7,11,13H,1-2,5,8-9H2;1H
InChIKeyWJJGODZLZUSULS-UHFFFAOYSA-N
XLogP1.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(pyrrolidin-2-ylmethoxymethyl)phenyl]methanol
CID 106937811
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4-(piperidin-2-ylmethoxymethyl)benzonitrile;hydrochloride
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4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride
CID 71637005
4-[[(3S)-piperidin-3-yl]methoxymethyl]pyridine
CID 94403087
2-chloro-5-(pyrrolidin-2-ylmethoxymethyl)pyridine
CID 71639901
(2S)-2-[(4-methoxyphenyl)methoxymethyl]piperidine
CID 86324715
2-[(3-bromophenyl)methoxymethyl]pyrrolidine
CID 62333428
(2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine
CID 35754000
(2S)-2-(thiophen-2-ylmethoxymethyl)pyrrolidine
CID 102820124
N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642062

Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-2-ylmethoxymethyl)pyridine;hydrochloride?
The IUPAC name of 4-(pyrrolidin-2-ylmethoxymethyl)pyridine;hydrochloride (CID 71637002) is 4-(pyrrolidin-2-ylmethoxymethyl)pyridine;hydrochloride.
What is the SMILES notation for 4-(pyrrolidin-2-ylmethoxymethyl)pyridine;hydrochloride?
The canonical SMILES for 4-(pyrrolidin-2-ylmethoxymethyl)pyridine;hydrochloride is Cl.c1cc(COCC2CCCN2)ccn1.
What is the InChIKey of 4-(pyrrolidin-2-ylmethoxymethyl)pyridine;hydrochloride?
The InChIKey is WJJGODZLZUSULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.ClH/c1-2-11(13-5-1)9-14-8-10-3-6-12-7-4-10;/h3-4,6-7,11,13H,1-2,5,8-9H2;1H.
What are the key properties of 4-(pyrrolidin-2-ylmethoxymethyl)pyridine;hydrochloride?
4-(pyrrolidin-2-ylmethoxymethyl)pyridine;hydrochloride has a molecular weight of 228.72 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-2-ylmethoxymethyl)pyridine;hydrochloride is sourced from PubChem (CID 71637002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).