1-[1-[6-(1-aminoethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol

C13H21N3O — CID 112626037

IUPAC1-[1-[6-(1-aminoethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol
SMILESCC(N)c1ccc(N2CCC(C(C)O)C2)cn1
InChIInChI=1S/C13H21N3O/c1-9(14)13-4-3-12(7-15-13)16-6-5-11(8-16)10(2)17/h3-4,7,9-11,17H,5-6,8,14H2,1-2H3
InChIKeyCIUWHRHFFIWSRX-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.31
Rot. Bonds3

About 1-[1-[6-(1-aminoethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol

1-[1-[6-(1-aminoethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol (PubChem CID 112626037) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[1-[6-(1-aminoethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[6-(1-aminoethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol
PubChem CID112626037
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[1-[6-(1-aminoethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol
SMILESCC(N)c1ccc(N2CCC(C(C)O)C2)cn1
InChIInChI=1S/C13H21N3O/c1-9(14)13-4-3-12(7-15-13)16-6-5-11(8-16)10(2)17/h3-4,7,9-11,17H,5-6,8,14H2,1-2H3
InChIKeyCIUWHRHFFIWSRX-UHFFFAOYSA-N
XLogP1.31
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 103496947
(1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
CID 113356003
1-[6-(1-aminoethyl)-3-pyridinyl]piperidin-4-ol
CID 83122211
1-[1-[6-(1-aminopropyl)-3-pyridinyl]piperidin-4-yl]ethanol
CID 106836278
(1R)-1-[5-(4-propylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 83122530
1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidine-4-carboxamide
CID 83122876
1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]piperidin-3-ol
CID 83122329
1-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 83127619
(1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine
CID 83123042
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 104638980
(1S)-1-[5-(4-methylazepan-1-yl)-2-pyridinyl]ethanamine
CID 83127542
(1R)-1-[5-(4-piperidin-1-ylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 83110821

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(1-aminoethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[6-(1-aminoethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol (CID 112626037) is 1-[1-[6-(1-aminoethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[6-(1-aminoethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[6-(1-aminoethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol is CC(N)c1ccc(N2CCC(C(C)O)C2)cn1.
What is the InChIKey of 1-[1-[6-(1-aminoethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol?
The InChIKey is CIUWHRHFFIWSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(14)13-4-3-12(7-15-13)16-6-5-11(8-16)10(2)17/h3-4,7,9-11,17H,5-6,8,14H2,1-2H3.
What are the key properties of 1-[1-[6-(1-aminoethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol?
1-[1-[6-(1-aminoethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(1-aminoethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112626037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).