2-[(2R)-4-[bis(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]acetic acid

C20H22Cl2N2O2 — CID 25063614

IUPAC2-[(2R)-4-[bis(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]acetic acid
SMILESC[C@@H]1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCN1CC(=O)O
InChIInChI=1S/C20H22Cl2N2O2/c1-14-12-24(11-10-23(14)13-19(25)26)20(15-2-6-17(21)7-3-15)16-4-8-18(22)9-5-16/h2-9,14,20H,10-13H2,1H3,(H,25,26)/t14-/m1/s1
InChIKeyZJHQZQOVEORODP-CQSZACIVSA-N
MW393.31 g/mol
LogP4.17
Rot. Bonds5

About 2-[(2R)-4-[bis(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]acetic acid

2-[(2R)-4-[bis(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]acetic acid (PubChem CID 25063614) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 2-[(2R)-4-[bis(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-[bis(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]acetic acid
PubChem CID25063614
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name2-[(2R)-4-[bis(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]acetic acid
SMILESC[C@@H]1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCN1CC(=O)O
InChIInChI=1S/C20H22Cl2N2O2/c1-14-12-24(11-10-23(14)13-19(25)26)20(15-2-6-17(21)7-3-15)16-4-8-18(22)9-5-16/h2-9,14,20H,10-13H2,1H3,(H,25,26)/t14-/m1/s1
InChIKeyZJHQZQOVEORODP-CQSZACIVSA-N
XLogP4.17
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[bis(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-[bis(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]acetic acid (CID 25063614) is 2-[(2R)-4-[bis(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-[bis(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-[bis(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]acetic acid is C[C@@H]1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCN1CC(=O)O.
What is the InChIKey of 2-[(2R)-4-[bis(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]acetic acid?
The InChIKey is ZJHQZQOVEORODP-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-14-12-24(11-10-23(14)13-19(25)26)20(15-2-6-17(21)7-3-15)16-4-8-18(22)9-5-16/h2-9,14,20H,10-13H2,1H3,(H,25,26)/t14-/m1/s1.
What are the key properties of 2-[(2R)-4-[bis(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]acetic acid?
2-[(2R)-4-[bis(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]acetic acid has a molecular weight of 393.31 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[bis(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]acetic acid is sourced from PubChem (CID 25063614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).