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

C22H30N2O — CID 67917207

IUPAC1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-phenylpiperazine
SMILESCc1ccc(C(C)C)cc1OCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H30N2O/c1-18(2)20-10-9-19(3)22(17-20)25-16-15-23-11-13-24(14-12-23)21-7-5-4-6-8-21/h4-10,17-18H,11-16H2,1-3H3
InChIKeyPFPRDJKQOXXBJV-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.32
Rot. Bonds6

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

1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-phenylpiperazine (PubChem CID 67917207) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-phenylpiperazine
PubChem CID67917207
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-phenylpiperazine
SMILESCc1ccc(C(C)C)cc1OCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H30N2O/c1-18(2)20-10-9-19(3)22(17-20)25-16-15-23-11-13-24(14-12-23)21-7-5-4-6-8-21/h4-10,17-18H,11-16H2,1-3H3
InChIKeyPFPRDJKQOXXBJV-UHFFFAOYSA-N
XLogP4.32
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-pentylpiperazine
CID 67918317
(2R,6S)-2,6-dimethyl-4-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]morpholine
CID 887414
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
2-[2-(2-methoxyphenoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 2283991
2-[3-(2-methoxyphenoxy)propoxy]-1-methyl-4-propan-2-ylbenzene
CID 2285673
4-[2-(4-phenylpiperazin-1-yl)ethoxy]aniline
CID 15573951
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
1-[4-[2-hydroxy-3-(2-methyl-5-propan-2-ylphenoxy)propyl]piperazin-1-yl]-3-(2-methyl-5-propan-2-ylphenoxy)propan-2-ol
CID 2951769
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-methyl-5-propan-2-ylphenoxy)propyl]piperazin-1-yl]-3-(2-methyl-5-propan-2-ylphenoxy)propan-2-ol
CID 51629103
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-methyl-5-propan-2-ylphenol;hydrochloride
CID 20846521
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
CID 38573516
1-(4-chlorophenyl)-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]piperazine
CID 14519632

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-phenylpiperazine?
The IUPAC name of 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-phenylpiperazine (CID 67917207) is 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-phenylpiperazine?
The canonical SMILES for 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-phenylpiperazine is Cc1ccc(C(C)C)cc1OCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-phenylpiperazine?
The InChIKey is PFPRDJKQOXXBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-18(2)20-10-9-19(3)22(17-20)25-16-15-23-11-13-24(14-12-23)21-7-5-4-6-8-21/h4-10,17-18H,11-16H2,1-3H3.
What are the key properties of 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-phenylpiperazine?
1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-phenylpiperazine has a molecular weight of 338.50 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-phenylpiperazine is sourced from PubChem (CID 67917207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).