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

C9H19N3O — CID 53398783

IUPAC4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
SMILESCN1CCN(C2CNCC2O)CC1
InChIInChI=1S/C9H19N3O/c1-11-2-4-12(5-3-11)8-6-10-7-9(8)13/h8-10,13H,2-7H2,1H3
InChIKeyQWAZYYLOVOHAMB-UHFFFAOYSA-N
MW185.27 g/mol
LogP-1.43
Rot. Bonds1

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

4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol (PubChem CID 53398783) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
PubChem CID53398783
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
SMILESCN1CCN(C2CNCC2O)CC1
InChIInChI=1S/C9H19N3O/c1-11-2-4-12(5-3-11)8-6-10-7-9(8)13/h8-10,13H,2-7H2,1H3
InChIKeyQWAZYYLOVOHAMB-UHFFFAOYSA-N
XLogP-1.43
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol?
The IUPAC name of 4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol (CID 53398783) is 4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol is CN1CCN(C2CNCC2O)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol?
The InChIKey is QWAZYYLOVOHAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-11-2-4-12(5-3-11)8-6-10-7-9(8)13/h8-10,13H,2-7H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol?
4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol has a molecular weight of 185.27 g/mol, XLogP of -1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol is sourced from PubChem (CID 53398783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).