4-[(2R)-4-benzyl-2-(4-chlorophenyl)-6-methylpiperazin-1-yl]-3-chlorophenol

C24H24Cl2N2O — CID 71021288

IUPAC4-[(2R)-4-benzyl-2-(4-chlorophenyl)-6-methylpiperazin-1-yl]-3-chlorophenol
SMILESCC1CN(Cc2ccccc2)C[C@@H](c2ccc(Cl)cc2)N1c1ccc(O)cc1Cl
InChIInChI=1S/C24H24Cl2N2O/c1-17-14-27(15-18-5-3-2-4-6-18)16-24(19-7-9-20(25)10-8-19)28(17)23-12-11-21(29)13-22(23)26/h2-13,17,24,29H,14-16H2,1H3/t17?,24-/m0/s1
InChIKeyPMINRQWXHVUZJC-UCSBTNPJSA-N
MW427.38 g/mol
LogP6.15
Rot. Bonds4

About 4-[(2R)-4-benzyl-2-(4-chlorophenyl)-6-methylpiperazin-1-yl]-3-chlorophenol

4-[(2R)-4-benzyl-2-(4-chlorophenyl)-6-methylpiperazin-1-yl]-3-chlorophenol (PubChem CID 71021288) has the molecular formula C24H24Cl2N2O and a molecular weight of 427.38 g/mol. Its IUPAC name is 4-[(2R)-4-benzyl-2-(4-chlorophenyl)-6-methylpiperazin-1-yl]-3-chlorophenol.

Molecular Properties

Compound Name4-[(2R)-4-benzyl-2-(4-chlorophenyl)-6-methylpiperazin-1-yl]-3-chlorophenol
PubChem CID71021288
Molecular FormulaC24H24Cl2N2O
Molecular Weight427.38 g/mol
Exact Mass426.13
IUPAC Name4-[(2R)-4-benzyl-2-(4-chlorophenyl)-6-methylpiperazin-1-yl]-3-chlorophenol
SMILESCC1CN(Cc2ccccc2)C[C@@H](c2ccc(Cl)cc2)N1c1ccc(O)cc1Cl
InChIInChI=1S/C24H24Cl2N2O/c1-17-14-27(15-18-5-3-2-4-6-18)16-24(19-7-9-20(25)10-8-19)28(17)23-12-11-21(29)13-22(23)26/h2-13,17,24,29H,14-16H2,1H3/t17?,24-/m0/s1
InChIKeyPMINRQWXHVUZJC-UCSBTNPJSA-N
XLogP6.15
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.38
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6R)-1,2-bis(4-chlorophenyl)-4-[(4-isocyanophenyl)methyl]-6-methylpiperazine
CID 59261829
(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 143237586
[4-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]phenyl]methanol
CID 89446386
1-benzyl-4-(4-hydroxyphenyl)piperidine-3,5-diol
CID 22127210
4-[(6R)-2-(4-chlorophenyl)-4-[(4-isocyanophenyl)methyl]-6-methylpiperazin-1-yl]benzonitrile
CID 123536746
6-[[(3R)-4-(2-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)piperazin-1-yl]methyl]pyridine-3-carbonitrile
CID 123474206
4-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline
CID 59261800
4-[(3-chloro-5-methylphenyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine
CID 11705679
1-benzyl-3-(3-chloro-4-fluorophenyl)-5-methylpiperazine
CID 141484896
4-[(3,4-dimethylpiperazin-1-yl)methyl]phenol
CID 82973086
2-(4-chlorophenyl)-4-[[2-[(4-chlorophenyl)methyl]phenyl]methyl]-1-(2,4-dichlorophenyl)piperazine
CID 89446711
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-phenylpropyl)piperazine
CID 11669776

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-4-benzyl-2-(4-chlorophenyl)-6-methylpiperazin-1-yl]-3-chlorophenol?
The IUPAC name of 4-[(2R)-4-benzyl-2-(4-chlorophenyl)-6-methylpiperazin-1-yl]-3-chlorophenol (CID 71021288) is 4-[(2R)-4-benzyl-2-(4-chlorophenyl)-6-methylpiperazin-1-yl]-3-chlorophenol.
What is the SMILES notation for 4-[(2R)-4-benzyl-2-(4-chlorophenyl)-6-methylpiperazin-1-yl]-3-chlorophenol?
The canonical SMILES for 4-[(2R)-4-benzyl-2-(4-chlorophenyl)-6-methylpiperazin-1-yl]-3-chlorophenol is CC1CN(Cc2ccccc2)C[C@@H](c2ccc(Cl)cc2)N1c1ccc(O)cc1Cl.
What is the InChIKey of 4-[(2R)-4-benzyl-2-(4-chlorophenyl)-6-methylpiperazin-1-yl]-3-chlorophenol?
The InChIKey is PMINRQWXHVUZJC-UCSBTNPJSA-N. The full InChI is InChI=1S/C24H24Cl2N2O/c1-17-14-27(15-18-5-3-2-4-6-18)16-24(19-7-9-20(25)10-8-19)28(17)23-12-11-21(29)13-22(23)26/h2-13,17,24,29H,14-16H2,1H3/t17?,24-/m0/s1.
What are the key properties of 4-[(2R)-4-benzyl-2-(4-chlorophenyl)-6-methylpiperazin-1-yl]-3-chlorophenol?
4-[(2R)-4-benzyl-2-(4-chlorophenyl)-6-methylpiperazin-1-yl]-3-chlorophenol has a molecular weight of 427.38 g/mol, XLogP of 6.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-4-benzyl-2-(4-chlorophenyl)-6-methylpiperazin-1-yl]-3-chlorophenol is sourced from PubChem (CID 71021288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).