3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride

C10H16Cl2N2 — CID 119103446

IUPAC3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
SMILESCl.Cl.c1cncc(CN2CCCC2)c1
InChIInChI=1S/C10H14N2.2ClH/c1-2-7-12(6-1)9-10-4-3-5-11-8-10;;/h3-5,8H,1-2,6-7,9H2;2*1H
InChIKeyQEGSCAUTWLLYLF-UHFFFAOYSA-N
MW235.16 g/mol
LogP2.52
Rot. Bonds2

About 3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride

3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride (PubChem CID 119103446) has the molecular formula C10H16Cl2N2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride.

Molecular Properties

Compound Name3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
PubChem CID119103446
Molecular FormulaC10H16Cl2N2
Molecular Weight235.16 g/mol
Exact Mass234.07
IUPAC Name3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
SMILESCl.Cl.c1cncc(CN2CCCC2)c1
InChIInChI=1S/C10H14N2.2ClH/c1-2-7-12(6-1)9-10-4-3-5-11-8-10;;/h3-5,8H,1-2,6-7,9H2;2*1H
InChIKeyQEGSCAUTWLLYLF-UHFFFAOYSA-N
XLogP2.52
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-methanidyl-4-(pyridin-3-ylmethyl)piperazin-1-ium
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3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
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8-(pyridin-3-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine
CID 97413613
3-(3-pyrrolidin-1-ylpropyl)pyridine
CID 70096862
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
1-(2-phenylethyl)-4-(pyridin-3-ylmethyl)piperazine;trihydrobromide
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3-ethylpyridine;1-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidine
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1-(pyridin-3-ylmethyl)-2-(pyrrolidin-1-ylmethyl)benzimidazole
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CID 95718209

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride?
The IUPAC name of 3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride (CID 119103446) is 3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride.
What is the SMILES notation for 3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride?
The canonical SMILES for 3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride is Cl.Cl.c1cncc(CN2CCCC2)c1.
What is the InChIKey of 3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride?
The InChIKey is QEGSCAUTWLLYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.2ClH/c1-2-7-12(6-1)9-10-4-3-5-11-8-10;;/h3-5,8H,1-2,6-7,9H2;2*1H.
What are the key properties of 3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride?
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride has a molecular weight of 235.16 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride is sourced from PubChem (CID 119103446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).