2-methoxy-1-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanol

C13H26N2O2 — CID 135161896

IUPAC2-methoxy-1-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanol
SMILESCOCC(O)N1CCC[C@H]1C1CCN(C)CC1
InChIInChI=1S/C13H26N2O2/c1-14-8-5-11(6-9-14)12-4-3-7-15(12)13(16)10-17-2/h11-13,16H,3-10H2,1-2H3/t12-,13?/m0/s1
InChIKeyZBSIHKUYBVUDOE-UEWDXFNNSA-N
MW242.36 g/mol
LogP0.76
Rot. Bonds4

About 2-methoxy-1-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanol

2-methoxy-1-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanol (PubChem CID 135161896) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-methoxy-1-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-methoxy-1-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanol
PubChem CID135161896
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-methoxy-1-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanol
SMILESCOCC(O)N1CCC[C@H]1C1CCN(C)CC1
InChIInChI=1S/C13H26N2O2/c1-14-8-5-11(6-9-14)12-4-3-7-15(12)13(16)10-17-2/h11-13,16H,3-10H2,1-2H3/t12-,13?/m0/s1
InChIKeyZBSIHKUYBVUDOE-UEWDXFNNSA-N
XLogP0.76
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanol?
The IUPAC name of 2-methoxy-1-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanol (CID 135161896) is 2-methoxy-1-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-methoxy-1-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-methoxy-1-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanol is COCC(O)N1CCC[C@H]1C1CCN(C)CC1.
What is the InChIKey of 2-methoxy-1-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanol?
The InChIKey is ZBSIHKUYBVUDOE-UEWDXFNNSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-14-8-5-11(6-9-14)12-4-3-7-15(12)13(16)10-17-2/h11-13,16H,3-10H2,1-2H3/t12-,13?/m0/s1.
What are the key properties of 2-methoxy-1-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanol?
2-methoxy-1-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanol has a molecular weight of 242.36 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 135161896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).