4-(2-pyrrolidin-3-ylethyl)pyridine;dihydrochloride

C11H18Cl2N2 — CID 126845941

IUPAC4-(2-pyrrolidin-3-ylethyl)pyridine;dihydrochloride
SMILESCl.Cl.c1cc(CCC2CCNC2)ccn1
InChIInChI=1S/C11H16N2.2ClH/c1(2-11-5-8-13-9-11)10-3-6-12-7-4-10;;/h3-4,6-7,11,13H,1-2,5,8-9H2;2*1H
InChIKeyBOEZPNWPFGNTSQ-UHFFFAOYSA-N
MW249.18 g/mol
LogP2.47
Rot. Bonds3

About 4-(2-pyrrolidin-3-ylethyl)pyridine;dihydrochloride

4-(2-pyrrolidin-3-ylethyl)pyridine;dihydrochloride (PubChem CID 126845941) has the molecular formula C11H18Cl2N2 and a molecular weight of 249.18 g/mol. Its IUPAC name is 4-(2-pyrrolidin-3-ylethyl)pyridine;dihydrochloride.

Molecular Properties

Compound Name4-(2-pyrrolidin-3-ylethyl)pyridine;dihydrochloride
PubChem CID126845941
Molecular FormulaC11H18Cl2N2
Molecular Weight249.18 g/mol
Exact Mass248.08
IUPAC Name4-(2-pyrrolidin-3-ylethyl)pyridine;dihydrochloride
SMILESCl.Cl.c1cc(CCC2CCNC2)ccn1
InChIInChI=1S/C11H16N2.2ClH/c1(2-11-5-8-13-9-11)10-3-6-12-7-4-10;;/h3-4,6-7,11,13H,1-2,5,8-9H2;2*1H
InChIKeyBOEZPNWPFGNTSQ-UHFFFAOYSA-N
XLogP2.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.18
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-pyrrolidin-3-ylethyl)pyridine
CID 83481928
4-(2-cyclopropylethyl)pyridine
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4-(2-pyrrolidin-3-ylethyl)benzoic acid;hydrochloride
CID 126844922
4-[2-(6-methylpiperidin-3-yl)ethyl]pyridine
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4-(pyrrolidin-3-ylmethylsulfanylmethyl)pyridine
CID 71637133
3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
CID 126844820
4-(pyrrolidin-3-ylmethylsulfanyl)pyridine;hydrochloride
CID 71303201
4-(2-piperidin-3-ylethyl)pyridin-2-amine;dihydrochloride
CID 167995844
3-(2-pyridin-4-ylethyl)piperidin-4-one
CID 83485514
4-(2-pyrrolidin-3-yloxyethyl)pyridine
CID 62328437
3-[2-(4-ethylsulfonylphenyl)ethyl]pyrrolidine
CID 116925480
N-(2-pyridin-4-ylethyl)-5-(pyrrolidin-3-ylmethyl)pyridin-2-amine
CID 110257850

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-3-ylethyl)pyridine;dihydrochloride?
The IUPAC name of 4-(2-pyrrolidin-3-ylethyl)pyridine;dihydrochloride (CID 126845941) is 4-(2-pyrrolidin-3-ylethyl)pyridine;dihydrochloride.
What is the SMILES notation for 4-(2-pyrrolidin-3-ylethyl)pyridine;dihydrochloride?
The canonical SMILES for 4-(2-pyrrolidin-3-ylethyl)pyridine;dihydrochloride is Cl.Cl.c1cc(CCC2CCNC2)ccn1.
What is the InChIKey of 4-(2-pyrrolidin-3-ylethyl)pyridine;dihydrochloride?
The InChIKey is BOEZPNWPFGNTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.2ClH/c1(2-11-5-8-13-9-11)10-3-6-12-7-4-10;;/h3-4,6-7,11,13H,1-2,5,8-9H2;2*1H.
What are the key properties of 4-(2-pyrrolidin-3-ylethyl)pyridine;dihydrochloride?
4-(2-pyrrolidin-3-ylethyl)pyridine;dihydrochloride has a molecular weight of 249.18 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-3-ylethyl)pyridine;dihydrochloride is sourced from PubChem (CID 126845941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).