1-(2,5-dihydro-1H-pyrrol-2-yl)-1-piperidin-2-ylethanol

C11H20N2O — CID 130877879

IUPAC1-(2,5-dihydro-1H-pyrrol-2-yl)-1-piperidin-2-ylethanol
SMILESCC(O)(C1C=CCN1)C1CCCCN1
InChIInChI=1S/C11H20N2O/c1-11(14,10-6-4-8-13-10)9-5-2-3-7-12-9/h4,6,9-10,12-14H,2-3,5,7-8H2,1H3
InChIKeySHYBLEZVCUCLLE-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.41
Rot. Bonds2

About 1-(2,5-dihydro-1H-pyrrol-2-yl)-1-piperidin-2-ylethanol

1-(2,5-dihydro-1H-pyrrol-2-yl)-1-piperidin-2-ylethanol (PubChem CID 130877879) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(2,5-dihydro-1H-pyrrol-2-yl)-1-piperidin-2-ylethanol.

Molecular Properties

Compound Name1-(2,5-dihydro-1H-pyrrol-2-yl)-1-piperidin-2-ylethanol
PubChem CID130877879
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(2,5-dihydro-1H-pyrrol-2-yl)-1-piperidin-2-ylethanol
SMILESCC(O)(C1C=CCN1)C1CCCCN1
InChIInChI=1S/C11H20N2O/c1-11(14,10-6-4-8-13-10)9-5-2-3-7-12-9/h4,6,9-10,12-14H,2-3,5,7-8H2,1H3
InChIKeySHYBLEZVCUCLLE-UHFFFAOYSA-N
XLogP0.41
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydro-1H-pyrrol-2-yl)-1-piperidin-2-ylethanol?
The IUPAC name of 1-(2,5-dihydro-1H-pyrrol-2-yl)-1-piperidin-2-ylethanol (CID 130877879) is 1-(2,5-dihydro-1H-pyrrol-2-yl)-1-piperidin-2-ylethanol.
What is the SMILES notation for 1-(2,5-dihydro-1H-pyrrol-2-yl)-1-piperidin-2-ylethanol?
The canonical SMILES for 1-(2,5-dihydro-1H-pyrrol-2-yl)-1-piperidin-2-ylethanol is CC(O)(C1C=CCN1)C1CCCCN1.
What is the InChIKey of 1-(2,5-dihydro-1H-pyrrol-2-yl)-1-piperidin-2-ylethanol?
The InChIKey is SHYBLEZVCUCLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-11(14,10-6-4-8-13-10)9-5-2-3-7-12-9/h4,6,9-10,12-14H,2-3,5,7-8H2,1H3.
What are the key properties of 1-(2,5-dihydro-1H-pyrrol-2-yl)-1-piperidin-2-ylethanol?
1-(2,5-dihydro-1H-pyrrol-2-yl)-1-piperidin-2-ylethanol has a molecular weight of 196.29 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydro-1H-pyrrol-2-yl)-1-piperidin-2-ylethanol is sourced from PubChem (CID 130877879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).