(3S,4S)-4-ethoxy-1-[2-(6-methyl-2-pyridinyl)ethyl]pyrrolidin-3-ol

C14H22N2O2 — CID 91779783

IUPAC(3S,4S)-4-ethoxy-1-[2-(6-methyl-2-pyridinyl)ethyl]pyrrolidin-3-ol
SMILESCCO[C@H]1CN(CCc2cccc(C)n2)C[C@@H]1O
InChIInChI=1S/C14H22N2O2/c1-3-18-14-10-16(9-13(14)17)8-7-12-6-4-5-11(2)15-12/h4-6,13-14,17H,3,7-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyTZHCFMSOPDSDAS-KBPBESRZSA-N
MW250.34 g/mol
LogP1.01
Rot. Bonds5

About (3S,4S)-4-ethoxy-1-[2-(6-methyl-2-pyridinyl)ethyl]pyrrolidin-3-ol

(3S,4S)-4-ethoxy-1-[2-(6-methyl-2-pyridinyl)ethyl]pyrrolidin-3-ol (PubChem CID 91779783) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (3S,4S)-4-ethoxy-1-[2-(6-methyl-2-pyridinyl)ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-ethoxy-1-[2-(6-methyl-2-pyridinyl)ethyl]pyrrolidin-3-ol
PubChem CID91779783
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(3S,4S)-4-ethoxy-1-[2-(6-methyl-2-pyridinyl)ethyl]pyrrolidin-3-ol
SMILESCCO[C@H]1CN(CCc2cccc(C)n2)C[C@@H]1O
InChIInChI=1S/C14H22N2O2/c1-3-18-14-10-16(9-13(14)17)8-7-12-6-4-5-11(2)15-12/h4-6,13-14,17H,3,7-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyTZHCFMSOPDSDAS-KBPBESRZSA-N
XLogP1.01
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-ethoxy-1-[2-(6-methyl-2-pyridinyl)ethyl]pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-ethoxy-1-[2-(6-methyl-2-pyridinyl)ethyl]pyrrolidin-3-ol (CID 91779783) is (3S,4S)-4-ethoxy-1-[2-(6-methyl-2-pyridinyl)ethyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-ethoxy-1-[2-(6-methyl-2-pyridinyl)ethyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-ethoxy-1-[2-(6-methyl-2-pyridinyl)ethyl]pyrrolidin-3-ol is CCO[C@H]1CN(CCc2cccc(C)n2)C[C@@H]1O.
What is the InChIKey of (3S,4S)-4-ethoxy-1-[2-(6-methyl-2-pyridinyl)ethyl]pyrrolidin-3-ol?
The InChIKey is TZHCFMSOPDSDAS-KBPBESRZSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-18-14-10-16(9-13(14)17)8-7-12-6-4-5-11(2)15-12/h4-6,13-14,17H,3,7-10H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (3S,4S)-4-ethoxy-1-[2-(6-methyl-2-pyridinyl)ethyl]pyrrolidin-3-ol?
(3S,4S)-4-ethoxy-1-[2-(6-methyl-2-pyridinyl)ethyl]pyrrolidin-3-ol has a molecular weight of 250.34 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-ethoxy-1-[2-(6-methyl-2-pyridinyl)ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 91779783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).