(S)-(4-amino-3,5-dichlorophenyl)-[(2R)-piperidin-2-yl]methanol

C12H16Cl2N2O — CID 23658593

IUPAC(S)-(4-amino-3,5-dichlorophenyl)-[(2R)-piperidin-2-yl]methanol
SMILESNc1c(Cl)cc([C@H](O)[C@H]2CCCCN2)cc1Cl
InChIInChI=1S/C12H16Cl2N2O/c13-8-5-7(6-9(14)11(8)15)12(17)10-3-1-2-4-16-10/h5-6,10,12,16-17H,1-4,15H2/t10-,12+/m1/s1
InChIKeyDBGPRZIMJYBBPV-PWSUYJOCSA-N
MW275.18 g/mol
LogP2.75
Rot. Bonds2

About (S)-(4-amino-3,5-dichlorophenyl)-[(2R)-piperidin-2-yl]methanol

(S)-(4-amino-3,5-dichlorophenyl)-[(2R)-piperidin-2-yl]methanol (PubChem CID 23658593) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is (S)-(4-amino-3,5-dichlorophenyl)-[(2R)-piperidin-2-yl]methanol.

Molecular Properties

Compound Name(S)-(4-amino-3,5-dichlorophenyl)-[(2R)-piperidin-2-yl]methanol
PubChem CID23658593
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name(S)-(4-amino-3,5-dichlorophenyl)-[(2R)-piperidin-2-yl]methanol
SMILESNc1c(Cl)cc([C@H](O)[C@H]2CCCCN2)cc1Cl
InChIInChI=1S/C12H16Cl2N2O/c13-8-5-7(6-9(14)11(8)15)12(17)10-3-1-2-4-16-10/h5-6,10,12,16-17H,1-4,15H2/t10-,12+/m1/s1
InChIKeyDBGPRZIMJYBBPV-PWSUYJOCSA-N
XLogP2.75
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (S)-(4-amino-3,5-dichlorophenyl)-[(2R)-piperidin-2-yl]methanol 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 (S)-(4-amino-3,5-dichlorophenyl)-[(2R)-piperidin-2-yl]methanol?
The IUPAC name of (S)-(4-amino-3,5-dichlorophenyl)-[(2R)-piperidin-2-yl]methanol (CID 23658593) is (S)-(4-amino-3,5-dichlorophenyl)-[(2R)-piperidin-2-yl]methanol.
What is the SMILES notation for (S)-(4-amino-3,5-dichlorophenyl)-[(2R)-piperidin-2-yl]methanol?
The canonical SMILES for (S)-(4-amino-3,5-dichlorophenyl)-[(2R)-piperidin-2-yl]methanol is Nc1c(Cl)cc([C@H](O)[C@H]2CCCCN2)cc1Cl.
What is the InChIKey of (S)-(4-amino-3,5-dichlorophenyl)-[(2R)-piperidin-2-yl]methanol?
The InChIKey is DBGPRZIMJYBBPV-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c13-8-5-7(6-9(14)11(8)15)12(17)10-3-1-2-4-16-10/h5-6,10,12,16-17H,1-4,15H2/t10-,12+/m1/s1.
What are the key properties of (S)-(4-amino-3,5-dichlorophenyl)-[(2R)-piperidin-2-yl]methanol?
(S)-(4-amino-3,5-dichlorophenyl)-[(2R)-piperidin-2-yl]methanol has a molecular weight of 275.18 g/mol, XLogP of 2.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-amino-3,5-dichlorophenyl)-[(2R)-piperidin-2-yl]methanol is sourced from PubChem (CID 23658593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).