1-[2-(2-butoxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride

C17H29ClN2O2 — CID 2996491

IUPAC1-[2-(2-butoxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride
SMILESCCCCOc1ccccc1OCCN1CCN(C)CC1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-3-4-14-20-16-7-5-6-8-17(16)21-15-13-19-11-9-18(2)10-12-19;/h5-8H,3-4,9-15H2,1-2H3;1H
InChIKeyMDYPUTBTPGRGLB-UHFFFAOYSA-N
MW328.88 g/mol
LogP2.91
Rot. Bonds8

About 1-[2-(2-butoxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride

1-[2-(2-butoxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride (PubChem CID 2996491) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is 1-[2-(2-butoxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-butoxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride
PubChem CID2996491
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC Name1-[2-(2-butoxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride
SMILESCCCCOc1ccccc1OCCN1CCN(C)CC1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-3-4-14-20-16-7-5-6-8-17(16)21-15-13-19-11-9-18(2)10-12-19;/h5-8H,3-4,9-15H2,1-2H3;1H
InChIKeyMDYPUTBTPGRGLB-UHFFFAOYSA-N
XLogP2.91
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.88
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine
CID 170863422
4-[4-(2-butoxyphenoxy)butyl]morpholine;hydrochloride
CID 2993517
N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62438868
1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine
CID 170863761
N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 62438685
2-(4-methylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate
CID 24836479
1-[2-(2-butylphenoxy)ethyl]piperidine
CID 5129730
1-methyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine
CID 58817389
1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-4-methyl-1,4-diazepane
CID 91792612
2-[4-(4-methylpiperazin-1-yl)butoxy]benzonitrile;hydrochloride
CID 2992837
1-octadecyl-4-[2-(4-phenylphenoxy)ethyl]piperazine;dihydrochloride
CID 56955425
1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
CID 2993798

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butoxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride?
The IUPAC name of 1-[2-(2-butoxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride (CID 2996491) is 1-[2-(2-butoxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[2-(2-butoxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[2-(2-butoxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride is CCCCOc1ccccc1OCCN1CCN(C)CC1.Cl.
What is the InChIKey of 1-[2-(2-butoxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride?
The InChIKey is MDYPUTBTPGRGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.ClH/c1-3-4-14-20-16-7-5-6-8-17(16)21-15-13-19-11-9-18(2)10-12-19;/h5-8H,3-4,9-15H2,1-2H3;1H.
What are the key properties of 1-[2-(2-butoxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride?
1-[2-(2-butoxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride has a molecular weight of 328.88 g/mol, XLogP of 2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-butoxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride is sourced from PubChem (CID 2996491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).