3-[(3R)-1-[5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol

C17H27N3O2 — CID 68612034

IUPAC3-[(3R)-1-[5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol
SMILESOCCC[C@@H]1CCN(c2cncc(OC[C@H]3CCCN3)c2)C1
InChIInChI=1S/C17H27N3O2/c21-8-2-3-14-5-7-20(12-14)16-9-17(11-18-10-16)22-13-15-4-1-6-19-15/h9-11,14-15,19,21H,1-8,12-13H2/t14-,15-/m1/s1
InChIKeyKNHPLYLGEPOCMU-HUUCEWRRSA-N
MW305.42 g/mol
LogP1.81
Rot. Bonds7

About 3-[(3R)-1-[5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol

3-[(3R)-1-[5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol (PubChem CID 68612034) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-[(3R)-1-[5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(3R)-1-[5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol
PubChem CID68612034
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-[(3R)-1-[5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol
SMILESOCCC[C@@H]1CCN(c2cncc(OC[C@H]3CCCN3)c2)C1
InChIInChI=1S/C17H27N3O2/c21-8-2-3-14-5-7-20(12-14)16-9-17(11-18-10-16)22-13-15-4-1-6-19-15/h9-11,14-15,19,21H,1-8,12-13H2/t14-,15-/m1/s1
InChIKeyKNHPLYLGEPOCMU-HUUCEWRRSA-N
XLogP1.81
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol?
The IUPAC name of 3-[(3R)-1-[5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol (CID 68612034) is 3-[(3R)-1-[5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[(3R)-1-[5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[(3R)-1-[5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol is OCCC[C@@H]1CCN(c2cncc(OC[C@H]3CCCN3)c2)C1.
What is the InChIKey of 3-[(3R)-1-[5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol?
The InChIKey is KNHPLYLGEPOCMU-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H27N3O2/c21-8-2-3-14-5-7-20(12-14)16-9-17(11-18-10-16)22-13-15-4-1-6-19-15/h9-11,14-15,19,21H,1-8,12-13H2/t14-,15-/m1/s1.
What are the key properties of 3-[(3R)-1-[5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol?
3-[(3R)-1-[5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol has a molecular weight of 305.42 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol is sourced from PubChem (CID 68612034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).