5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol

C12H25N3O — CID 66056964

IUPAC5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol
SMILESCCN1CCN(CC2CC(O)CN2)CC1C
InChIInChI=1S/C12H25N3O/c1-3-15-5-4-14(8-10(15)2)9-11-6-12(16)7-13-11/h10-13,16H,3-9H2,1-2H3
InChIKeyYVXWBGYSZGGUJU-UHFFFAOYSA-N
MW227.35 g/mol
LogP-0.26
Rot. Bonds3

About 5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol

5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol (PubChem CID 66056964) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol
PubChem CID66056964
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol
SMILESCCN1CCN(CC2CC(O)CN2)CC1C
InChIInChI=1S/C12H25N3O/c1-3-15-5-4-14(8-10(15)2)9-11-6-12(16)7-13-11/h10-13,16H,3-9H2,1-2H3
InChIKeyYVXWBGYSZGGUJU-UHFFFAOYSA-N
XLogP-0.26
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol (CID 66056964) is 5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol is CCN1CCN(CC2CC(O)CN2)CC1C.
What is the InChIKey of 5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol?
The InChIKey is YVXWBGYSZGGUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-15-5-4-14(8-10(15)2)9-11-6-12(16)7-13-11/h10-13,16H,3-9H2,1-2H3.
What are the key properties of 5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol?
5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol has a molecular weight of 227.35 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66056964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).