1-[(4-butoxy-2-methyl-5-propan-2-ylphenyl)methyl]piperazine

C19H32N2O — CID 82552698

IUPAC1-[(4-butoxy-2-methyl-5-propan-2-ylphenyl)methyl]piperazine
SMILESCCCCOc1cc(C)c(CN2CCNCC2)cc1C(C)C
InChIInChI=1S/C19H32N2O/c1-5-6-11-22-19-12-16(4)17(13-18(19)15(2)3)14-21-9-7-20-8-10-21/h12-13,15,20H,5-11,14H2,1-4H3
InChIKeyWFTVPXUMFOGLHF-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.70
Rot. Bonds7

About 1-[(4-butoxy-2-methyl-5-propan-2-ylphenyl)methyl]piperazine

1-[(4-butoxy-2-methyl-5-propan-2-ylphenyl)methyl]piperazine (PubChem CID 82552698) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-[(4-butoxy-2-methyl-5-propan-2-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-butoxy-2-methyl-5-propan-2-ylphenyl)methyl]piperazine
PubChem CID82552698
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name1-[(4-butoxy-2-methyl-5-propan-2-ylphenyl)methyl]piperazine
SMILESCCCCOc1cc(C)c(CN2CCNCC2)cc1C(C)C
InChIInChI=1S/C19H32N2O/c1-5-6-11-22-19-12-16(4)17(13-18(19)15(2)3)14-21-9-7-20-8-10-21/h12-13,15,20H,5-11,14H2,1-4H3
InChIKeyWFTVPXUMFOGLHF-UHFFFAOYSA-N
XLogP3.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)ethyl]piperazine
CID 82266066
1-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]piperazine
CID 82305365
1-[4-(2,5-dimethyl-4-propoxyphenyl)butyl]piperazine
CID 83940966
1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperazine
CID 3398296
N-[(2-methyl-5-propan-2-yl-4-propoxyphenyl)methyl]ethanamine
CID 82552720
1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine
CID 94693693
1-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,4-diazepane
CID 82305364
2-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 77093838
1-[(2-ethoxy-5-methylphenyl)methyl]piperazine
CID 82263437
2-piperazin-1-yl-1-(3-propan-2-yl-4-propoxyphenyl)ethanone
CID 82264037
1-[(2,3-dimethyl-5-propan-2-ylphenyl)methyl]piperazine
CID 117368977
1-[(4-methoxy-3-methyl-5-propan-2-ylphenyl)methyl]piperazine
CID 117411213

Frequently Asked Questions

What is the IUPAC name of 1-[(4-butoxy-2-methyl-5-propan-2-ylphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-butoxy-2-methyl-5-propan-2-ylphenyl)methyl]piperazine (CID 82552698) is 1-[(4-butoxy-2-methyl-5-propan-2-ylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-butoxy-2-methyl-5-propan-2-ylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-butoxy-2-methyl-5-propan-2-ylphenyl)methyl]piperazine is CCCCOc1cc(C)c(CN2CCNCC2)cc1C(C)C.
What is the InChIKey of 1-[(4-butoxy-2-methyl-5-propan-2-ylphenyl)methyl]piperazine?
The InChIKey is WFTVPXUMFOGLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-5-6-11-22-19-12-16(4)17(13-18(19)15(2)3)14-21-9-7-20-8-10-21/h12-13,15,20H,5-11,14H2,1-4H3.
What are the key properties of 1-[(4-butoxy-2-methyl-5-propan-2-ylphenyl)methyl]piperazine?
1-[(4-butoxy-2-methyl-5-propan-2-ylphenyl)methyl]piperazine has a molecular weight of 304.48 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-butoxy-2-methyl-5-propan-2-ylphenyl)methyl]piperazine is sourced from PubChem (CID 82552698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).