1-[(4-bromo-2-piperidin-1-ylphenyl)methyl]-4-(2-methylpropyl)piperazine

C20H32BrN3 — CID 174836186

IUPAC1-[(4-bromo-2-piperidin-1-ylphenyl)methyl]-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN(Cc2ccc(Br)cc2N2CCCCC2)CC1
InChIInChI=1S/C20H32BrN3/c1-17(2)15-22-10-12-23(13-11-22)16-18-6-7-19(21)14-20(18)24-8-4-3-5-9-24/h6-7,14,17H,3-5,8-13,15-16H2,1-2H3
InChIKeyFBNIINBUYATXMP-UHFFFAOYSA-N
MW394.40 g/mol
LogP4.21
Rot. Bonds5

About 1-[(4-bromo-2-piperidin-1-ylphenyl)methyl]-4-(2-methylpropyl)piperazine

1-[(4-bromo-2-piperidin-1-ylphenyl)methyl]-4-(2-methylpropyl)piperazine (PubChem CID 174836186) has the molecular formula C20H32BrN3 and a molecular weight of 394.40 g/mol. Its IUPAC name is 1-[(4-bromo-2-piperidin-1-ylphenyl)methyl]-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[(4-bromo-2-piperidin-1-ylphenyl)methyl]-4-(2-methylpropyl)piperazine
PubChem CID174836186
Molecular FormulaC20H32BrN3
Molecular Weight394.40 g/mol
Exact Mass393.18
IUPAC Name1-[(4-bromo-2-piperidin-1-ylphenyl)methyl]-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN(Cc2ccc(Br)cc2N2CCCCC2)CC1
InChIInChI=1S/C20H32BrN3/c1-17(2)15-22-10-12-23(13-11-22)16-18-6-7-19(21)14-20(18)24-8-4-3-5-9-24/h6-7,14,17H,3-5,8-13,15-16H2,1-2H3
InChIKeyFBNIINBUYATXMP-UHFFFAOYSA-N
XLogP4.21
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-piperidin-1-ylphenyl)methyl]-4-(2-methylpropyl)piperazine?
The IUPAC name of 1-[(4-bromo-2-piperidin-1-ylphenyl)methyl]-4-(2-methylpropyl)piperazine (CID 174836186) is 1-[(4-bromo-2-piperidin-1-ylphenyl)methyl]-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[(4-bromo-2-piperidin-1-ylphenyl)methyl]-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[(4-bromo-2-piperidin-1-ylphenyl)methyl]-4-(2-methylpropyl)piperazine is CC(C)CN1CCN(Cc2ccc(Br)cc2N2CCCCC2)CC1.
What is the InChIKey of 1-[(4-bromo-2-piperidin-1-ylphenyl)methyl]-4-(2-methylpropyl)piperazine?
The InChIKey is FBNIINBUYATXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32BrN3/c1-17(2)15-22-10-12-23(13-11-22)16-18-6-7-19(21)14-20(18)24-8-4-3-5-9-24/h6-7,14,17H,3-5,8-13,15-16H2,1-2H3.
What are the key properties of 1-[(4-bromo-2-piperidin-1-ylphenyl)methyl]-4-(2-methylpropyl)piperazine?
1-[(4-bromo-2-piperidin-1-ylphenyl)methyl]-4-(2-methylpropyl)piperazine has a molecular weight of 394.40 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-piperidin-1-ylphenyl)methyl]-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 174836186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).