2-[(2S)-1-[(3S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol

C13H26N2O — CID 134339327

IUPAC2-[(2S)-1-[(3S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol
SMILESC[C@H]1CNCCC1N1CCC[C@H]1C(C)(C)O
InChIInChI=1S/C13H26N2O/c1-10-9-14-7-6-11(10)15-8-4-5-12(15)13(2,3)16/h10-12,14,16H,4-9H2,1-3H3/t10-,11?,12-/m0/s1
InChIKeyCSMRTBKUWLAJMT-PRWSFJOGSA-N
MW226.36 g/mol
LogP1.22
Rot. Bonds2

About 2-[(2S)-1-[(3S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol

2-[(2S)-1-[(3S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol (PubChem CID 134339327) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[(2S)-1-[(3S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2S)-1-[(3S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol
PubChem CID134339327
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[(2S)-1-[(3S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol
SMILESC[C@H]1CNCCC1N1CCC[C@H]1C(C)(C)O
InChIInChI=1S/C13H26N2O/c1-10-9-14-7-6-11(10)15-8-4-5-12(15)13(2,3)16/h10-12,14,16H,4-9H2,1-3H3/t10-,11?,12-/m0/s1
InChIKeyCSMRTBKUWLAJMT-PRWSFJOGSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2S)-1-[(3S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-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 2-[(2S)-1-[(3S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 2-[(2S)-1-[(3S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol (CID 134339327) is 2-[(2S)-1-[(3S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2S)-1-[(3S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2S)-1-[(3S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol is C[C@H]1CNCCC1N1CCC[C@H]1C(C)(C)O.
What is the InChIKey of 2-[(2S)-1-[(3S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol?
The InChIKey is CSMRTBKUWLAJMT-PRWSFJOGSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10-9-14-7-6-11(10)15-8-4-5-12(15)13(2,3)16/h10-12,14,16H,4-9H2,1-3H3/t10-,11?,12-/m0/s1.
What are the key properties of 2-[(2S)-1-[(3S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol?
2-[(2S)-1-[(3S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol has a molecular weight of 226.36 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(3S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 134339327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).