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

C21H36N2O — CID 67918317

IUPAC1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-pentylpiperazine
SMILESCCCCCN1CCN(CCOc2cc(C(C)C)ccc2C)CC1
InChIInChI=1S/C21H36N2O/c1-5-6-7-10-22-11-13-23(14-12-22)15-16-24-21-17-20(18(2)3)9-8-19(21)4/h8-9,17-18H,5-7,10-16H2,1-4H3
InChIKeyZSPPQYVKKJZUEB-UHFFFAOYSA-N
MW332.53 g/mol
LogP4.31
Rot. Bonds9

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

1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-pentylpiperazine (PubChem CID 67918317) has the molecular formula C21H36N2O and a molecular weight of 332.53 g/mol. Its IUPAC name is 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-pentylpiperazine.

Molecular Properties

Compound Name1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-pentylpiperazine
PubChem CID67918317
Molecular FormulaC21H36N2O
Molecular Weight332.53 g/mol
Exact Mass332.28
IUPAC Name1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-pentylpiperazine
SMILESCCCCCN1CCN(CCOc2cc(C(C)C)ccc2C)CC1
InChIInChI=1S/C21H36N2O/c1-5-6-7-10-22-11-13-23(14-12-22)15-16-24-21-17-20(18(2)3)9-8-19(21)4/h8-9,17-18H,5-7,10-16H2,1-4H3
InChIKeyZSPPQYVKKJZUEB-UHFFFAOYSA-N
XLogP4.31
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-pentylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hexoxy-1-methyl-4-propan-2-ylbenzene
CID 81004927
1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-phenylpiperazine
CID 67917207
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
(2R,6S)-2,6-dimethyl-4-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]morpholine
CID 887414
1-[4-(2,5-dimethylphenoxy)butyl]aziridine
CID 125464507
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine
CID 61036143
N-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]butan-1-amine
CID 2276631
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
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine
CID 61035897
N-butan-2-yl-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-amine;oxalic acid
CID 2934388

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-pentylpiperazine?
The IUPAC name of 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-pentylpiperazine (CID 67918317) is 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-pentylpiperazine.
What is the SMILES notation for 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-pentylpiperazine?
The canonical SMILES for 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-pentylpiperazine is CCCCCN1CCN(CCOc2cc(C(C)C)ccc2C)CC1.
What is the InChIKey of 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-pentylpiperazine?
The InChIKey is ZSPPQYVKKJZUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O/c1-5-6-7-10-22-11-13-23(14-12-22)15-16-24-21-17-20(18(2)3)9-8-19(21)4/h8-9,17-18H,5-7,10-16H2,1-4H3.
What are the key properties of 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-pentylpiperazine?
1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-pentylpiperazine has a molecular weight of 332.53 g/mol, XLogP of 4.31, 9 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-pentylpiperazine is sourced from PubChem (CID 67918317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).