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

C17H29ClN2O2 — CID 2996187

IUPAC1-[2-(4-butan-2-yloxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride
SMILESCCC(C)Oc1ccc(OCCN2CCN(C)CC2)cc1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-4-15(2)21-17-7-5-16(6-8-17)20-14-13-19-11-9-18(3)10-12-19;/h5-8,15H,4,9-14H2,1-3H3;1H
InChIKeyPDKXHNOFGCTYQC-UHFFFAOYSA-N
MW328.88 g/mol
LogP2.91
Rot. Bonds7

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

1-[2-(4-butan-2-yloxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride (PubChem CID 2996187) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is 1-[2-(4-butan-2-yloxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-butan-2-yloxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride
PubChem CID2996187
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC Name1-[2-(4-butan-2-yloxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride
SMILESCCC(C)Oc1ccc(OCCN2CCN(C)CC2)cc1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-4-15(2)21-17-7-5-16(6-8-17)20-14-13-19-11-9-18(3)10-12-19;/h5-8,15H,4,9-14H2,1-3H3;1H
InChIKeyPDKXHNOFGCTYQC-UHFFFAOYSA-N
XLogP2.91
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-butan-2-yloxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride?
The IUPAC name of 1-[2-(4-butan-2-yloxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride (CID 2996187) is 1-[2-(4-butan-2-yloxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[2-(4-butan-2-yloxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[2-(4-butan-2-yloxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride is CCC(C)Oc1ccc(OCCN2CCN(C)CC2)cc1.Cl.
What is the InChIKey of 1-[2-(4-butan-2-yloxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride?
The InChIKey is PDKXHNOFGCTYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.ClH/c1-4-15(2)21-17-7-5-16(6-8-17)20-14-13-19-11-9-18(3)10-12-19;/h5-8,15H,4,9-14H2,1-3H3;1H.
What are the key properties of 1-[2-(4-butan-2-yloxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride?
1-[2-(4-butan-2-yloxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride has a molecular weight of 328.88 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-butan-2-yloxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride is sourced from PubChem (CID 2996187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).