1-[(3-chlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine

C21H27ClN2O2 — CID 5238145

IUPAC1-[(3-chlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine
SMILESCCOc1ccc(C(c2cccc(Cl)c2)N2CCNCC2)cc1OCC
InChIInChI=1S/C21H27ClN2O2/c1-3-25-19-9-8-17(15-20(19)26-4-2)21(24-12-10-23-11-13-24)16-6-5-7-18(22)14-16/h5-9,14-15,21,23H,3-4,10-13H2,1-2H3
InChIKeyWVRAEOFMLCGSRG-UHFFFAOYSA-N
MW374.91 g/mol
LogP4.13
Rot. Bonds7

About 1-[(3-chlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine

1-[(3-chlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine (PubChem CID 5238145) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine
PubChem CID5238145
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name1-[(3-chlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine
SMILESCCOc1ccc(C(c2cccc(Cl)c2)N2CCNCC2)cc1OCC
InChIInChI=1S/C21H27ClN2O2/c1-3-25-19-9-8-17(15-20(19)26-4-2)21(24-12-10-23-11-13-24)16-6-5-7-18(22)14-16/h5-9,14-15,21,23H,3-4,10-13H2,1-2H3
InChIKeyWVRAEOFMLCGSRG-UHFFFAOYSA-N
XLogP4.13
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperazine
CID 4618691
1-[(3-chlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 3580291
1-[(3,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine
CID 5216730
1-[(3-ethoxy-4-methoxyphenyl)-phenylmethyl]piperazine
CID 3967405
1-[(3,4-dichlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 3938650
1-[(4-ethoxy-3-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3635199
1-[(3-ethoxy-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3478154
1-[(3,4-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methyl]-1,4-diazepane
CID 3826604
1-[(3-bromophenyl)-(5-chloro-2-ethoxyphenyl)methyl]-1,4-diazepane
CID 3798874
1-[(4-ethoxy-3-methoxyphenyl)-(3-methylphenyl)methyl]-1,4-diazepane
CID 3804047
1-[(3-ethoxy-4-methoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4222145
1-[(5-chloro-2-ethoxyphenyl)-(4-fluorophenyl)methyl]piperazine
CID 3748492

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(3-chlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine (CID 5238145) is 1-[(3-chlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-chlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(3-chlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine is CCOc1ccc(C(c2cccc(Cl)c2)N2CCNCC2)cc1OCC.
What is the InChIKey of 1-[(3-chlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine?
The InChIKey is WVRAEOFMLCGSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O2/c1-3-25-19-9-8-17(15-20(19)26-4-2)21(24-12-10-23-11-13-24)16-6-5-7-18(22)14-16/h5-9,14-15,21,23H,3-4,10-13H2,1-2H3.
What are the key properties of 1-[(3-chlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine?
1-[(3-chlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine has a molecular weight of 374.91 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 5238145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).