1-[1-(4-bromo-2-ethylphenyl)piperidin-4-yl]-4-methylpiperazine

C18H28BrN3 — CID 175689373

IUPAC1-[1-(4-bromo-2-ethylphenyl)piperidin-4-yl]-4-methylpiperazine
SMILESCCc1cc(Br)ccc1N1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C18H28BrN3/c1-3-15-14-16(19)4-5-18(15)22-8-6-17(7-9-22)21-12-10-20(2)11-13-21/h4-5,14,17H,3,6-13H2,1-2H3
InChIKeyYJPRUYYTTNMFSP-UHFFFAOYSA-N
MW366.35 g/mol
LogP3.23
Rot. Bonds3

About 1-[1-(4-bromo-2-ethylphenyl)piperidin-4-yl]-4-methylpiperazine

1-[1-(4-bromo-2-ethylphenyl)piperidin-4-yl]-4-methylpiperazine (PubChem CID 175689373) has the molecular formula C18H28BrN3 and a molecular weight of 366.35 g/mol. Its IUPAC name is 1-[1-(4-bromo-2-ethylphenyl)piperidin-4-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-(4-bromo-2-ethylphenyl)piperidin-4-yl]-4-methylpiperazine
PubChem CID175689373
Molecular FormulaC18H28BrN3
Molecular Weight366.35 g/mol
Exact Mass365.15
IUPAC Name1-[1-(4-bromo-2-ethylphenyl)piperidin-4-yl]-4-methylpiperazine
SMILESCCc1cc(Br)ccc1N1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C18H28BrN3/c1-3-15-14-16(19)4-5-18(15)22-8-6-17(7-9-22)21-12-10-20(2)11-13-21/h4-5,14,17H,3,6-13H2,1-2H3
InChIKeyYJPRUYYTTNMFSP-UHFFFAOYSA-N
XLogP3.23
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromo-2-ethylphenyl)piperidin-4-yl]-4-methylpiperazine?
The IUPAC name of 1-[1-(4-bromo-2-ethylphenyl)piperidin-4-yl]-4-methylpiperazine (CID 175689373) is 1-[1-(4-bromo-2-ethylphenyl)piperidin-4-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-(4-bromo-2-ethylphenyl)piperidin-4-yl]-4-methylpiperazine?
The canonical SMILES for 1-[1-(4-bromo-2-ethylphenyl)piperidin-4-yl]-4-methylpiperazine is CCc1cc(Br)ccc1N1CCC(N2CCN(C)CC2)CC1.
What is the InChIKey of 1-[1-(4-bromo-2-ethylphenyl)piperidin-4-yl]-4-methylpiperazine?
The InChIKey is YJPRUYYTTNMFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN3/c1-3-15-14-16(19)4-5-18(15)22-8-6-17(7-9-22)21-12-10-20(2)11-13-21/h4-5,14,17H,3,6-13H2,1-2H3.
What are the key properties of 1-[1-(4-bromo-2-ethylphenyl)piperidin-4-yl]-4-methylpiperazine?
1-[1-(4-bromo-2-ethylphenyl)piperidin-4-yl]-4-methylpiperazine has a molecular weight of 366.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromo-2-ethylphenyl)piperidin-4-yl]-4-methylpiperazine is sourced from PubChem (CID 175689373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).