(2R)-1-[3-chloro-4-[(2R)-2-phenylpiperazin-1-yl]phenoxy]propan-2-ol

C19H23ClN2O2 — CID 59508776

IUPAC(2R)-1-[3-chloro-4-[(2R)-2-phenylpiperazin-1-yl]phenoxy]propan-2-ol
SMILESC[C@@H](O)COc1ccc(N2CCNC[C@H]2c2ccccc2)c(Cl)c1
InChIInChI=1S/C19H23ClN2O2/c1-14(23)13-24-16-7-8-18(17(20)11-16)22-10-9-21-12-19(22)15-5-3-2-4-6-15/h2-8,11,14,19,21,23H,9-10,12-13H2,1H3/t14-,19+/m1/s1
InChIKeyMMEXWRQXAJPXFJ-KUHUBIRLSA-N
MW346.86 g/mol
LogP3.25
Rot. Bonds5

About (2R)-1-[3-chloro-4-[(2R)-2-phenylpiperazin-1-yl]phenoxy]propan-2-ol

(2R)-1-[3-chloro-4-[(2R)-2-phenylpiperazin-1-yl]phenoxy]propan-2-ol (PubChem CID 59508776) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is (2R)-1-[3-chloro-4-[(2R)-2-phenylpiperazin-1-yl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[3-chloro-4-[(2R)-2-phenylpiperazin-1-yl]phenoxy]propan-2-ol
PubChem CID59508776
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name(2R)-1-[3-chloro-4-[(2R)-2-phenylpiperazin-1-yl]phenoxy]propan-2-ol
SMILESC[C@@H](O)COc1ccc(N2CCNC[C@H]2c2ccccc2)c(Cl)c1
InChIInChI=1S/C19H23ClN2O2/c1-14(23)13-24-16-7-8-18(17(20)11-16)22-10-9-21-12-19(22)15-5-3-2-4-6-15/h2-8,11,14,19,21,23H,9-10,12-13H2,1H3/t14-,19+/m1/s1
InChIKeyMMEXWRQXAJPXFJ-KUHUBIRLSA-N
XLogP3.25
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze (2R)-1-[3-chloro-4-[(2R)-2-phenylpiperazin-1-yl]phenoxy]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 (2R)-1-[3-chloro-4-[(2R)-2-phenylpiperazin-1-yl]phenoxy]propan-2-ol?
The IUPAC name of (2R)-1-[3-chloro-4-[(2R)-2-phenylpiperazin-1-yl]phenoxy]propan-2-ol (CID 59508776) is (2R)-1-[3-chloro-4-[(2R)-2-phenylpiperazin-1-yl]phenoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[3-chloro-4-[(2R)-2-phenylpiperazin-1-yl]phenoxy]propan-2-ol?
The canonical SMILES for (2R)-1-[3-chloro-4-[(2R)-2-phenylpiperazin-1-yl]phenoxy]propan-2-ol is C[C@@H](O)COc1ccc(N2CCNC[C@H]2c2ccccc2)c(Cl)c1.
What is the InChIKey of (2R)-1-[3-chloro-4-[(2R)-2-phenylpiperazin-1-yl]phenoxy]propan-2-ol?
The InChIKey is MMEXWRQXAJPXFJ-KUHUBIRLSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-14(23)13-24-16-7-8-18(17(20)11-16)22-10-9-21-12-19(22)15-5-3-2-4-6-15/h2-8,11,14,19,21,23H,9-10,12-13H2,1H3/t14-,19+/m1/s1.
What are the key properties of (2R)-1-[3-chloro-4-[(2R)-2-phenylpiperazin-1-yl]phenoxy]propan-2-ol?
(2R)-1-[3-chloro-4-[(2R)-2-phenylpiperazin-1-yl]phenoxy]propan-2-ol has a molecular weight of 346.86 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-chloro-4-[(2R)-2-phenylpiperazin-1-yl]phenoxy]propan-2-ol is sourced from PubChem (CID 59508776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).