2-[1-[[6-methyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]pyrrolidin-3-yl]ethanol

C17H26N2O2 — CID 166682596

IUPAC2-[1-[[6-methyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]pyrrolidin-3-yl]ethanol
SMILESCc1ccc([C@H]2CCOC2)c(CN2CCC(CCO)C2)n1
InChIInChI=1S/C17H26N2O2/c1-13-2-3-16(15-6-9-21-12-15)17(18-13)11-19-7-4-14(10-19)5-8-20/h2-3,14-15,20H,4-12H2,1H3/t14?,15-/m0/s1
InChIKeySTUCBGHRFCIIJD-LOACHALJSA-N
MW290.41 g/mol
LogP2.10
Rot. Bonds5

About 2-[1-[[6-methyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]pyrrolidin-3-yl]ethanol

2-[1-[[6-methyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]pyrrolidin-3-yl]ethanol (PubChem CID 166682596) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[1-[[6-methyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[6-methyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]pyrrolidin-3-yl]ethanol
PubChem CID166682596
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[1-[[6-methyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]pyrrolidin-3-yl]ethanol
SMILESCc1ccc([C@H]2CCOC2)c(CN2CCC(CCO)C2)n1
InChIInChI=1S/C17H26N2O2/c1-13-2-3-16(15-6-9-21-12-15)17(18-13)11-19-7-4-14(10-19)5-8-20/h2-3,14-15,20H,4-12H2,1H3/t14?,15-/m0/s1
InChIKeySTUCBGHRFCIIJD-LOACHALJSA-N
XLogP2.10
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[[6-methyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]pyrrolidin-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[6-methyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[[6-methyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]pyrrolidin-3-yl]ethanol (CID 166682596) is 2-[1-[[6-methyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[[6-methyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[[6-methyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]pyrrolidin-3-yl]ethanol is Cc1ccc([C@H]2CCOC2)c(CN2CCC(CCO)C2)n1.
What is the InChIKey of 2-[1-[[6-methyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is STUCBGHRFCIIJD-LOACHALJSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-2-3-16(15-6-9-21-12-15)17(18-13)11-19-7-4-14(10-19)5-8-20/h2-3,14-15,20H,4-12H2,1H3/t14?,15-/m0/s1.
What are the key properties of 2-[1-[[6-methyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]pyrrolidin-3-yl]ethanol?
2-[1-[[6-methyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 290.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[6-methyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 166682596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).