2-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanol

C10H21N3O — CID 56831619

IUPAC2-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanol
SMILESOCCN1CCN(C2CCNC2)CC1
InChIInChI=1S/C10H21N3O/c14-8-7-12-3-5-13(6-4-12)10-1-2-11-9-10/h10-11,14H,1-9H2
InChIKeyNZLODVFFYHMFMB-UHFFFAOYSA-N
MW199.30 g/mol
LogP-1.04
Rot. Bonds3

About 2-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanol

2-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanol (PubChem CID 56831619) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanol
PubChem CID56831619
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanol
SMILESOCCN1CCN(C2CCNC2)CC1
InChIInChI=1S/C10H21N3O/c14-8-7-12-3-5-13(6-4-12)10-1-2-11-9-10/h10-11,14H,1-9H2
InChIKeyNZLODVFFYHMFMB-UHFFFAOYSA-N
XLogP-1.04
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanol (CID 56831619) is 2-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanol is OCCN1CCN(C2CCNC2)CC1.
What is the InChIKey of 2-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanol?
The InChIKey is NZLODVFFYHMFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c14-8-7-12-3-5-13(6-4-12)10-1-2-11-9-10/h10-11,14H,1-9H2.
What are the key properties of 2-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanol?
2-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanol has a molecular weight of 199.30 g/mol, XLogP of -1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanol is sourced from PubChem (CID 56831619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).