4-[[4-[bis(2-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol

C24H24Cl2N2O — CID 19881633

IUPAC4-[[4-[bis(2-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol
SMILESOc1ccc(CN2CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C24H24Cl2N2O/c25-22-7-3-1-5-20(22)24(21-6-2-4-8-23(21)26)28-15-13-27(14-16-28)17-18-9-11-19(29)12-10-18/h1-12,24,29H,13-17H2
InChIKeyBDTGXIIMPBHINA-UHFFFAOYSA-N
MW427.38 g/mol
LogP5.61
Rot. Bonds5

About 4-[[4-[bis(2-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol

4-[[4-[bis(2-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol (PubChem CID 19881633) has the molecular formula C24H24Cl2N2O and a molecular weight of 427.38 g/mol. Its IUPAC name is 4-[[4-[bis(2-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[4-[bis(2-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol
PubChem CID19881633
Molecular FormulaC24H24Cl2N2O
Molecular Weight427.38 g/mol
Exact Mass426.13
IUPAC Name4-[[4-[bis(2-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol
SMILESOc1ccc(CN2CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C24H24Cl2N2O/c25-22-7-3-1-5-20(22)24(21-6-2-4-8-23(21)26)28-15-13-27(14-16-28)17-18-9-11-19(29)12-10-18/h1-12,24,29H,13-17H2
InChIKeyBDTGXIIMPBHINA-UHFFFAOYSA-N
XLogP5.61
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.38
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]methyl]phenol
CID 111750511
1-[bis(2-chlorophenyl)methyl]-4-butyl-1,4-diazepane
CID 20795229
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol
CID 36839442
(1S,2R)-2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol
CID 12505375
4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 113222701
(1R,2R)-2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol;hydrochloride
CID 90668409
4-[4-[(R)-(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]butanoic acid
CID 124564536
[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]methanesulfinate
CID 174628111
2-(2-chlorophenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol
CID 12505446
3-[[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]methyl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 56748677
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-[(S)-(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 51685587

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[bis(2-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol?
The IUPAC name of 4-[[4-[bis(2-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol (CID 19881633) is 4-[[4-[bis(2-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[4-[bis(2-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol?
The canonical SMILES for 4-[[4-[bis(2-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol is Oc1ccc(CN2CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)cc1.
What is the InChIKey of 4-[[4-[bis(2-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol?
The InChIKey is BDTGXIIMPBHINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O/c25-22-7-3-1-5-20(22)24(21-6-2-4-8-23(21)26)28-15-13-27(14-16-28)17-18-9-11-19(29)12-10-18/h1-12,24,29H,13-17H2.
What are the key properties of 4-[[4-[bis(2-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol?
4-[[4-[bis(2-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol has a molecular weight of 427.38 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[bis(2-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 19881633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).