(3S)-4-(aminomethyl)-1-(oxolan-2-ylmethyl)piperidin-3-ol

C11H22N2O2 — CID 71214621

IUPAC(3S)-4-(aminomethyl)-1-(oxolan-2-ylmethyl)piperidin-3-ol
SMILESNCC1CCN(CC2CCCO2)C[C@H]1O
InChIInChI=1S/C11H22N2O2/c12-6-9-3-4-13(8-11(9)14)7-10-2-1-5-15-10/h9-11,14H,1-8,12H2/t9?,10?,11-/m1/s1
InChIKeyRUUUKOJVWLKEII-VQXHTEKXSA-N
MW214.31 g/mol
LogP-0.19
Rot. Bonds3

About (3S)-4-(aminomethyl)-1-(oxolan-2-ylmethyl)piperidin-3-ol

(3S)-4-(aminomethyl)-1-(oxolan-2-ylmethyl)piperidin-3-ol (PubChem CID 71214621) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (3S)-4-(aminomethyl)-1-(oxolan-2-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-4-(aminomethyl)-1-(oxolan-2-ylmethyl)piperidin-3-ol
PubChem CID71214621
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(3S)-4-(aminomethyl)-1-(oxolan-2-ylmethyl)piperidin-3-ol
SMILESNCC1CCN(CC2CCCO2)C[C@H]1O
InChIInChI=1S/C11H22N2O2/c12-6-9-3-4-13(8-11(9)14)7-10-2-1-5-15-10/h9-11,14H,1-8,12H2/t9?,10?,11-/m1/s1
InChIKeyRUUUKOJVWLKEII-VQXHTEKXSA-N
XLogP-0.19
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-4-(aminomethyl)-1-(oxolan-2-ylmethyl)piperidin-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 (3S)-4-(aminomethyl)-1-(oxolan-2-ylmethyl)piperidin-3-ol?
The IUPAC name of (3S)-4-(aminomethyl)-1-(oxolan-2-ylmethyl)piperidin-3-ol (CID 71214621) is (3S)-4-(aminomethyl)-1-(oxolan-2-ylmethyl)piperidin-3-ol.
What is the SMILES notation for (3S)-4-(aminomethyl)-1-(oxolan-2-ylmethyl)piperidin-3-ol?
The canonical SMILES for (3S)-4-(aminomethyl)-1-(oxolan-2-ylmethyl)piperidin-3-ol is NCC1CCN(CC2CCCO2)C[C@H]1O.
What is the InChIKey of (3S)-4-(aminomethyl)-1-(oxolan-2-ylmethyl)piperidin-3-ol?
The InChIKey is RUUUKOJVWLKEII-VQXHTEKXSA-N. The full InChI is InChI=1S/C11H22N2O2/c12-6-9-3-4-13(8-11(9)14)7-10-2-1-5-15-10/h9-11,14H,1-8,12H2/t9?,10?,11-/m1/s1.
What are the key properties of (3S)-4-(aminomethyl)-1-(oxolan-2-ylmethyl)piperidin-3-ol?
(3S)-4-(aminomethyl)-1-(oxolan-2-ylmethyl)piperidin-3-ol has a molecular weight of 214.31 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(aminomethyl)-1-(oxolan-2-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 71214621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).