1-(2-chloro-4-phenylmethoxyphenyl)-4-(2-phenylethyl)piperazine

C25H27ClN2O — CID 23111462

IUPAC1-(2-chloro-4-phenylmethoxyphenyl)-4-(2-phenylethyl)piperazine
SMILESClc1cc(OCc2ccccc2)ccc1N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C25H27ClN2O/c26-24-19-23(29-20-22-9-5-2-6-10-22)11-12-25(24)28-17-15-27(16-18-28)14-13-21-7-3-1-4-8-21/h1-12,19H,13-18,20H2
InChIKeyVWOWAMJBPRAYGH-UHFFFAOYSA-N
MW406.96 g/mol
LogP5.28
Rot. Bonds7

About 1-(2-chloro-4-phenylmethoxyphenyl)-4-(2-phenylethyl)piperazine

1-(2-chloro-4-phenylmethoxyphenyl)-4-(2-phenylethyl)piperazine (PubChem CID 23111462) has the molecular formula C25H27ClN2O and a molecular weight of 406.96 g/mol. Its IUPAC name is 1-(2-chloro-4-phenylmethoxyphenyl)-4-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name1-(2-chloro-4-phenylmethoxyphenyl)-4-(2-phenylethyl)piperazine
PubChem CID23111462
Molecular FormulaC25H27ClN2O
Molecular Weight406.96 g/mol
Exact Mass406.18
IUPAC Name1-(2-chloro-4-phenylmethoxyphenyl)-4-(2-phenylethyl)piperazine
SMILESClc1cc(OCc2ccccc2)ccc1N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C25H27ClN2O/c26-24-19-23(29-20-22-9-5-2-6-10-22)11-12-25(24)28-17-15-27(16-18-28)14-13-21-7-3-1-4-8-21/h1-12,19H,13-18,20H2
InChIKeyVWOWAMJBPRAYGH-UHFFFAOYSA-N
XLogP5.28
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.96
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2-methoxy-4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-amine
CID 21473441
1-[2-[4-[(3,5-dimethoxyphenoxy)methyl]phenyl]ethyl]-4-(2-methoxyphenyl)piperazine
CID 118720221
5-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]benzonitrile
CID 23111514
1-(2-methylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine
CID 1376375
1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 139690645
1-[2-(2,5-dichlorophenoxy)ethyl]-4-(2-phenylethyl)piperazine
CID 112808904
1-(2-chloroethyl)-4-(2-phenylethyl)piperazine
CID 10264250
1,4-bis[(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 6480590
[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-5-phenylmethoxyphenyl]methanol
CID 139709112
4-[3-[2,5-bis(phenylmethoxy)phenyl]propyl]morpholine
CID 170870322
1-[2-[4-[(3,5-dimethoxyphenoxy)methyl]phenyl]ethyl]-4-(3-methoxyphenyl)piperazine;hydrochloride
CID 118720226
4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]benzene-1,2-diamine
CID 11473477

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-phenylmethoxyphenyl)-4-(2-phenylethyl)piperazine?
The IUPAC name of 1-(2-chloro-4-phenylmethoxyphenyl)-4-(2-phenylethyl)piperazine (CID 23111462) is 1-(2-chloro-4-phenylmethoxyphenyl)-4-(2-phenylethyl)piperazine.
What is the SMILES notation for 1-(2-chloro-4-phenylmethoxyphenyl)-4-(2-phenylethyl)piperazine?
The canonical SMILES for 1-(2-chloro-4-phenylmethoxyphenyl)-4-(2-phenylethyl)piperazine is Clc1cc(OCc2ccccc2)ccc1N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-(2-chloro-4-phenylmethoxyphenyl)-4-(2-phenylethyl)piperazine?
The InChIKey is VWOWAMJBPRAYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O/c26-24-19-23(29-20-22-9-5-2-6-10-22)11-12-25(24)28-17-15-27(16-18-28)14-13-21-7-3-1-4-8-21/h1-12,19H,13-18,20H2.
What are the key properties of 1-(2-chloro-4-phenylmethoxyphenyl)-4-(2-phenylethyl)piperazine?
1-(2-chloro-4-phenylmethoxyphenyl)-4-(2-phenylethyl)piperazine has a molecular weight of 406.96 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-phenylmethoxyphenyl)-4-(2-phenylethyl)piperazine is sourced from PubChem (CID 23111462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).