1-[5-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]ethanol

C16H25N3O — CID 83132328

IUPAC1-[5-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]ethanol
SMILESCC(O)c1ccc(N2CCC(N3CCCCC3)C2)cn1
InChIInChI=1S/C16H25N3O/c1-13(20)16-6-5-14(11-17-16)19-10-7-15(12-19)18-8-3-2-4-9-18/h5-6,11,13,15,20H,2-4,7-10,12H2,1H3
InChIKeyRYAYDIGINAVJQK-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.20
Rot. Bonds3

About 1-[5-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]ethanol

1-[5-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]ethanol (PubChem CID 83132328) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[5-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[5-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]ethanol
PubChem CID83132328
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[5-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]ethanol
SMILESCC(O)c1ccc(N2CCC(N3CCCCC3)C2)cn1
InChIInChI=1S/C16H25N3O/c1-13(20)16-6-5-14(11-17-16)19-10-7-15(12-19)18-8-3-2-4-9-18/h5-6,11,13,15,20H,2-4,7-10,12H2,1H3
InChIKeyRYAYDIGINAVJQK-UHFFFAOYSA-N
XLogP2.20
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]ethanol
CID 83131405
(1R)-1-[5-(4-piperidin-1-ylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 83110821
1-[6-(1-hydroxyethyl)-3-pyridinyl]-4-methylpiperidin-3-ol
CID 102959859
(1S)-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]ethanol
CID 83132436
(1S)-1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanol
CID 83131766
(1R)-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 78936816
2-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 83131663
2-[6-(1-hydroxyethyl)-3-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 83131578
1-[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]-N-ethylethanamine
CID 83109204
(1S)-1-[5-(4-propylpiperidin-1-yl)-2-pyridinyl]ethanol
CID 83132070
1-[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]ethanamine
CID 83127559
1-[5-(4-propylpiperidin-1-yl)-2-pyridinyl]ethanol
CID 83132157

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]ethanol?
The IUPAC name of 1-[5-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]ethanol (CID 83132328) is 1-[5-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[5-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]ethanol?
The canonical SMILES for 1-[5-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]ethanol is CC(O)c1ccc(N2CCC(N3CCCCC3)C2)cn1.
What is the InChIKey of 1-[5-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]ethanol?
The InChIKey is RYAYDIGINAVJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(20)16-6-5-14(11-17-16)19-10-7-15(12-19)18-8-3-2-4-9-18/h5-6,11,13,15,20H,2-4,7-10,12H2,1H3.
What are the key properties of 1-[5-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]ethanol?
1-[5-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]ethanol has a molecular weight of 275.40 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]ethanol is sourced from PubChem (CID 83132328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).