1-[5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol

C15H24N2O — CID 112585503

IUPAC1-[5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(N2C(C)CCC2CC)cn1
InChIInChI=1S/C15H24N2O/c1-4-12-7-6-11(3)17(12)13-8-9-14(16-10-13)15(18)5-2/h8-12,15,18H,4-7H2,1-3H3
InChIKeyLHTCQDMADHMASX-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.29
Rot. Bonds4

About 1-[5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol

1-[5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol (PubChem CID 112585503) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol
PubChem CID112585503
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(N2C(C)CCC2CC)cn1
InChIInChI=1S/C15H24N2O/c1-4-12-7-6-11(3)17(12)13-8-9-14(16-10-13)15(18)5-2/h8-12,15,18H,4-7H2,1-3H3
InChIKeyLHTCQDMADHMASX-UHFFFAOYSA-N
XLogP3.29
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585215
1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585309
1-[6-(1-hydroxypropyl)-3-pyridinyl]-4-methylpiperidin-3-ol
CID 102959840
(1R)-1-[5-(2,4-dimethylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
CID 114087398
(1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
CID 113356003
(1R)-1-[5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
CID 102782283
(1R)-1-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]propan-1-ol
CID 113355334
(1S)-1-[6-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]ethanol
CID 83220027
(1S)-1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 83220342
(1R)-1-[5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]propan-1-ol
CID 103938818
(1S)-1-[5-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 102959932
(1S)-1-[5-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]propan-1-ol
CID 113355429

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol (CID 112585503) is 1-[5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol is CCC(O)c1ccc(N2C(C)CCC2CC)cn1.
What is the InChIKey of 1-[5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol?
The InChIKey is LHTCQDMADHMASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-12-7-6-11(3)17(12)13-8-9-14(16-10-13)15(18)5-2/h8-12,15,18H,4-7H2,1-3H3.
What are the key properties of 1-[5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol?
1-[5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 112585503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).