(1S)-1-[5-(3,3-diethylpyrrolidin-1-yl)-2-pyridinyl]ethanol

C15H24N2O — CID 83131740

IUPAC(1S)-1-[5-(3,3-diethylpyrrolidin-1-yl)-2-pyridinyl]ethanol
SMILESCCC1(CC)CCN(c2ccc([C@H](C)O)nc2)C1
InChIInChI=1S/C15H24N2O/c1-4-15(5-2)8-9-17(11-15)13-6-7-14(12(3)18)16-10-13/h6-7,10,12,18H,4-5,8-9,11H2,1-3H3/t12-/m0/s1
InChIKeyHFNQIPADYISHQQ-LBPRGKRZSA-N
MW248.37 g/mol
LogP3.15
Rot. Bonds4

About (1S)-1-[5-(3,3-diethylpyrrolidin-1-yl)-2-pyridinyl]ethanol

(1S)-1-[5-(3,3-diethylpyrrolidin-1-yl)-2-pyridinyl]ethanol (PubChem CID 83131740) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (1S)-1-[5-(3,3-diethylpyrrolidin-1-yl)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-(3,3-diethylpyrrolidin-1-yl)-2-pyridinyl]ethanol
PubChem CID83131740
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(1S)-1-[5-(3,3-diethylpyrrolidin-1-yl)-2-pyridinyl]ethanol
SMILESCCC1(CC)CCN(c2ccc([C@H](C)O)nc2)C1
InChIInChI=1S/C15H24N2O/c1-4-15(5-2)8-9-17(11-15)13-6-7-14(12(3)18)16-10-13/h6-7,10,12,18H,4-5,8-9,11H2,1-3H3/t12-/m0/s1
InChIKeyHFNQIPADYISHQQ-LBPRGKRZSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(3,3-diethylpyrrolidin-1-yl)-2-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[5-(3,3-diethylpyrrolidin-1-yl)-2-pyridinyl]ethanol (CID 83131740) is (1S)-1-[5-(3,3-diethylpyrrolidin-1-yl)-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[5-(3,3-diethylpyrrolidin-1-yl)-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[5-(3,3-diethylpyrrolidin-1-yl)-2-pyridinyl]ethanol is CCC1(CC)CCN(c2ccc([C@H](C)O)nc2)C1.
What is the InChIKey of (1S)-1-[5-(3,3-diethylpyrrolidin-1-yl)-2-pyridinyl]ethanol?
The InChIKey is HFNQIPADYISHQQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-15(5-2)8-9-17(11-15)13-6-7-14(12(3)18)16-10-13/h6-7,10,12,18H,4-5,8-9,11H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-1-[5-(3,3-diethylpyrrolidin-1-yl)-2-pyridinyl]ethanol?
(1S)-1-[5-(3,3-diethylpyrrolidin-1-yl)-2-pyridinyl]ethanol has a molecular weight of 248.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(3,3-diethylpyrrolidin-1-yl)-2-pyridinyl]ethanol is sourced from PubChem (CID 83131740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).