1-(4-chlorophenyl)-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]piperazine

C22H29ClN2O — CID 14519632

IUPAC1-(4-chlorophenyl)-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]piperazine
SMILESCc1ccc(C(C)C)c(OCCN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C22H29ClN2O/c1-17(2)21-9-4-18(3)16-22(21)26-15-14-24-10-12-25(13-11-24)20-7-5-19(23)6-8-20/h4-9,16-17H,10-15H2,1-3H3
InChIKeyHYTYGAQJUIAXCS-UHFFFAOYSA-N
MW372.94 g/mol
LogP4.97
Rot. Bonds6

About 1-(4-chlorophenyl)-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]piperazine

1-(4-chlorophenyl)-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]piperazine (PubChem CID 14519632) has the molecular formula C22H29ClN2O and a molecular weight of 372.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]piperazine
PubChem CID14519632
Molecular FormulaC22H29ClN2O
Molecular Weight372.94 g/mol
Exact Mass372.20
IUPAC Name1-(4-chlorophenyl)-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]piperazine
SMILESCc1ccc(C(C)C)c(OCCN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C22H29ClN2O/c1-17(2)21-9-4-18(3)16-22(21)26-15-14-24-10-12-25(13-11-24)20-7-5-19(23)6-8-20/h4-9,16-17H,10-15H2,1-3H3
InChIKeyHYTYGAQJUIAXCS-UHFFFAOYSA-N
XLogP4.97
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.94
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[4-methyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine
CID 82889440
1-benzyl-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]piperazine;oxalic acid
CID 2924395
1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperazine
CID 3398296
2-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 2944173
N-ethyl-1-[4-methyl-2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 63640833
1-(3-methoxy-4-propan-2-ylphenyl)-4-propylpiperazine
CID 176934846
1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-phenylpiperazine
CID 67917207
1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine
CID 59966261
3,5-dichloro-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]aniline
CID 54796892
(1S)-1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 63650259
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 81079308
2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922502

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]piperazine (CID 14519632) is 1-(4-chlorophenyl)-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]piperazine is Cc1ccc(C(C)C)c(OCCN2CCN(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]piperazine?
The InChIKey is HYTYGAQJUIAXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O/c1-17(2)21-9-4-18(3)16-22(21)26-15-14-24-10-12-25(13-11-24)20-7-5-19(23)6-8-20/h4-9,16-17H,10-15H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]piperazine?
1-(4-chlorophenyl)-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]piperazine has a molecular weight of 372.94 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]piperazine is sourced from PubChem (CID 14519632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).