trans-(1S,2S)-2-piperazin-1-ylcyclopentan-1-ol

C9H18N2O — CID 51890003

IUPACtrans-(1S,2S)-2-piperazin-1-ylcyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1N1CCNCC1
InChIInChI=1S/C9H18N2O/c12-9-3-1-2-8(9)11-6-4-10-5-7-11/h8-10,12H,1-7H2/t8-,9-/m0/s1
InChIKeyYFZKFNUJXUUPNL-IUCAKERBSA-N
MW170.26 g/mol
LogP-0.19
Rot. Bonds1

About trans-(1S,2S)-2-piperazin-1-ylcyclopentan-1-ol

trans-(1S,2S)-2-piperazin-1-ylcyclopentan-1-ol (PubChem CID 51890003) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is trans-(1S,2S)-2-piperazin-1-ylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-piperazin-1-ylcyclopentan-1-ol
PubChem CID51890003
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Nametrans-(1S,2S)-2-piperazin-1-ylcyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1N1CCNCC1
InChIInChI=1S/C9H18N2O/c12-9-3-1-2-8(9)11-6-4-10-5-7-11/h8-10,12H,1-7H2/t8-,9-/m0/s1
InChIKeyYFZKFNUJXUUPNL-IUCAKERBSA-N
XLogP-0.19
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1S,2S)-2-piperazin-1-ylcyclopentan-1-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 trans-(1S,2S)-2-piperazin-1-ylcyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-piperazin-1-ylcyclopentan-1-ol (CID 51890003) is trans-(1S,2S)-2-piperazin-1-ylcyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-piperazin-1-ylcyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-piperazin-1-ylcyclopentan-1-ol is O[C@H]1CCC[C@@H]1N1CCNCC1.
What is the InChIKey of trans-(1S,2S)-2-piperazin-1-ylcyclopentan-1-ol?
The InChIKey is YFZKFNUJXUUPNL-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18N2O/c12-9-3-1-2-8(9)11-6-4-10-5-7-11/h8-10,12H,1-7H2/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-piperazin-1-ylcyclopentan-1-ol?
trans-(1S,2S)-2-piperazin-1-ylcyclopentan-1-ol has a molecular weight of 170.26 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-piperazin-1-ylcyclopentan-1-ol is sourced from PubChem (CID 51890003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).