4-(4-ethylpiperazin-1-yl)pyrrolidin-3-ol

C10H21N3O — CID 63704462

IUPAC4-(4-ethylpiperazin-1-yl)pyrrolidin-3-ol
SMILESCCN1CCN(C2CNCC2O)CC1
InChIInChI=1S/C10H21N3O/c1-2-12-3-5-13(6-4-12)9-7-11-8-10(9)14/h9-11,14H,2-8H2,1H3
InChIKeyZJBIJKOPSFUZLW-UHFFFAOYSA-N
MW199.30 g/mol
LogP-1.04
Rot. Bonds2

About 4-(4-ethylpiperazin-1-yl)pyrrolidin-3-ol

4-(4-ethylpiperazin-1-yl)pyrrolidin-3-ol (PubChem CID 63704462) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)pyrrolidin-3-ol
PubChem CID63704462
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name4-(4-ethylpiperazin-1-yl)pyrrolidin-3-ol
SMILESCCN1CCN(C2CNCC2O)CC1
InChIInChI=1S/C10H21N3O/c1-2-12-3-5-13(6-4-12)9-7-11-8-10(9)14/h9-11,14H,2-8H2,1H3
InChIKeyZJBIJKOPSFUZLW-UHFFFAOYSA-N
XLogP-1.04
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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 4-(4-ethylpiperazin-1-yl)pyrrolidin-3-ol?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)pyrrolidin-3-ol (CID 63704462) is 4-(4-ethylpiperazin-1-yl)pyrrolidin-3-ol.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)pyrrolidin-3-ol?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)pyrrolidin-3-ol is CCN1CCN(C2CNCC2O)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)pyrrolidin-3-ol?
The InChIKey is ZJBIJKOPSFUZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-2-12-3-5-13(6-4-12)9-7-11-8-10(9)14/h9-11,14H,2-8H2,1H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)pyrrolidin-3-ol?
4-(4-ethylpiperazin-1-yl)pyrrolidin-3-ol has a molecular weight of 199.30 g/mol, XLogP of -1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)pyrrolidin-3-ol is sourced from PubChem (CID 63704462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).