2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol;dihydrochloride

C12H22Cl2N2O — CID 70544463

IUPAC2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol;dihydrochloride
SMILESCN1CCCC1C1=CN(CCO)CC=C1.Cl.Cl
InChIInChI=1S/C12H20N2O.2ClH/c1-13-6-3-5-12(13)11-4-2-7-14(10-11)8-9-15;;/h2,4,10,12,15H,3,5-9H2,1H3;2*1H
InChIKeyYYTIJTBACQIVMI-UHFFFAOYSA-N
MW281.23 g/mol
LogP1.67
Rot. Bonds3

About 2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol;dihydrochloride

2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol;dihydrochloride (PubChem CID 70544463) has the molecular formula C12H22Cl2N2O and a molecular weight of 281.23 g/mol. Its IUPAC name is 2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol;dihydrochloride
PubChem CID70544463
Molecular FormulaC12H22Cl2N2O
Molecular Weight281.23 g/mol
Exact Mass280.11
IUPAC Name2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol;dihydrochloride
SMILESCN1CCCC1C1=CN(CCO)CC=C1.Cl.Cl
InChIInChI=1S/C12H20N2O.2ClH/c1-13-6-3-5-12(13)11-4-2-7-14(10-11)8-9-15;;/h2,4,10,12,15H,3,5-9H2,1H3;2*1H
InChIKeyYYTIJTBACQIVMI-UHFFFAOYSA-N
XLogP1.67
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol;dihydrochloride?
The IUPAC name of 2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol;dihydrochloride (CID 70544463) is 2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol;dihydrochloride.
What is the SMILES notation for 2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol;dihydrochloride?
The canonical SMILES for 2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol;dihydrochloride is CN1CCCC1C1=CN(CCO)CC=C1.Cl.Cl.
What is the InChIKey of 2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol;dihydrochloride?
The InChIKey is YYTIJTBACQIVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O.2ClH/c1-13-6-3-5-12(13)11-4-2-7-14(10-11)8-9-15;;/h2,4,10,12,15H,3,5-9H2,1H3;2*1H.
What are the key properties of 2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol;dihydrochloride?
2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol;dihydrochloride has a molecular weight of 281.23 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol;dihydrochloride is sourced from PubChem (CID 70544463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).