(3S)-1-(piperazin-1-ylmethyl)pyrrolidin-3-ol;hydrochloride

C9H20ClN3O — CID 20658418

IUPAC(3S)-1-(piperazin-1-ylmethyl)pyrrolidin-3-ol;hydrochloride
SMILESCl.O[C@H]1CCN(CN2CCNCC2)C1
InChIInChI=1S/C9H19N3O.ClH/c13-9-1-4-12(7-9)8-11-5-2-10-3-6-11;/h9-10,13H,1-8H2;1H/t9-;/m0./s1
InChIKeyFRYIDQBQTBIIDM-FVGYRXGTSA-N
MW221.73 g/mol
LogP-0.66
Rot. Bonds2

About (3S)-1-(piperazin-1-ylmethyl)pyrrolidin-3-ol;hydrochloride

(3S)-1-(piperazin-1-ylmethyl)pyrrolidin-3-ol;hydrochloride (PubChem CID 20658418) has the molecular formula C9H20ClN3O and a molecular weight of 221.73 g/mol. Its IUPAC name is (3S)-1-(piperazin-1-ylmethyl)pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-1-(piperazin-1-ylmethyl)pyrrolidin-3-ol;hydrochloride
PubChem CID20658418
Molecular FormulaC9H20ClN3O
Molecular Weight221.73 g/mol
Exact Mass221.13
IUPAC Name(3S)-1-(piperazin-1-ylmethyl)pyrrolidin-3-ol;hydrochloride
SMILESCl.O[C@H]1CCN(CN2CCNCC2)C1
InChIInChI=1S/C9H19N3O.ClH/c13-9-1-4-12(7-9)8-11-5-2-10-3-6-11;/h9-10,13H,1-8H2;1H/t9-;/m0./s1
InChIKeyFRYIDQBQTBIIDM-FVGYRXGTSA-N
XLogP-0.66
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(piperazin-1-ylmethyl)pyrrolidin-3-ol;hydrochloride 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 (3S)-1-(piperazin-1-ylmethyl)pyrrolidin-3-ol;hydrochloride?
The IUPAC name of (3S)-1-(piperazin-1-ylmethyl)pyrrolidin-3-ol;hydrochloride (CID 20658418) is (3S)-1-(piperazin-1-ylmethyl)pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for (3S)-1-(piperazin-1-ylmethyl)pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for (3S)-1-(piperazin-1-ylmethyl)pyrrolidin-3-ol;hydrochloride is Cl.O[C@H]1CCN(CN2CCNCC2)C1.
What is the InChIKey of (3S)-1-(piperazin-1-ylmethyl)pyrrolidin-3-ol;hydrochloride?
The InChIKey is FRYIDQBQTBIIDM-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H19N3O.ClH/c13-9-1-4-12(7-9)8-11-5-2-10-3-6-11;/h9-10,13H,1-8H2;1H/t9-;/m0./s1.
What are the key properties of (3S)-1-(piperazin-1-ylmethyl)pyrrolidin-3-ol;hydrochloride?
(3S)-1-(piperazin-1-ylmethyl)pyrrolidin-3-ol;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(piperazin-1-ylmethyl)pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 20658418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).