1-(4-bromo-3-methylphenyl)-4-piperidin-3-ylpiperazine

C16H24BrN3 — CID 117026191

IUPAC1-(4-bromo-3-methylphenyl)-4-piperidin-3-ylpiperazine
SMILESCc1cc(N2CCN(C3CCCNC3)CC2)ccc1Br
InChIInChI=1S/C16H24BrN3/c1-13-11-14(4-5-16(13)17)19-7-9-20(10-8-19)15-3-2-6-18-12-15/h4-5,11,15,18H,2-3,6-10,12H2,1H3
InChIKeyQQTQZGDBCZDBEU-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.63
Rot. Bonds2

About 1-(4-bromo-3-methylphenyl)-4-piperidin-3-ylpiperazine

1-(4-bromo-3-methylphenyl)-4-piperidin-3-ylpiperazine (PubChem CID 117026191) has the molecular formula C16H24BrN3 and a molecular weight of 338.29 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-4-piperidin-3-ylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-4-piperidin-3-ylpiperazine
PubChem CID117026191
Molecular FormulaC16H24BrN3
Molecular Weight338.29 g/mol
Exact Mass337.12
IUPAC Name1-(4-bromo-3-methylphenyl)-4-piperidin-3-ylpiperazine
SMILESCc1cc(N2CCN(C3CCCNC3)CC2)ccc1Br
InChIInChI=1S/C16H24BrN3/c1-13-11-14(4-5-16(13)17)19-7-9-20(10-8-19)15-3-2-6-18-12-15/h4-5,11,15,18H,2-3,6-10,12H2,1H3
InChIKeyQQTQZGDBCZDBEU-UHFFFAOYSA-N
XLogP2.63
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methylphenyl)-4-pyrrolidin-3-ylpiperazine
CID 84606192
1-(2-bromo-4-methylphenyl)-4-piperidin-3-ylpiperazine
CID 117026189
3-[4-(3-methylphenyl)piperazin-1-yl]azepane
CID 62642253
1-phenyl-4-[(3R)-piperidin-3-yl]piperazine
CID 51704980
1-(4-methoxyphenyl)-4-[(3R)-piperidin-3-yl]piperazine
CID 94678404
1-(2-bromophenyl)-4-piperidin-3-ylpiperazine
CID 117026187
1-(4-bromo-3-methylphenyl)piperazine;hydrochloride
CID 21071017
1-[(3R)-piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 93115751
1-(4-bromo-3-methylphenyl)-N-methylpiperidin-4-amine
CID 60861630
1-(4-bromo-3-methylphenyl)piperidin-3-ol
CID 117012803
4-(4-cyclopentylpiperazin-1-yl)-2-methylbenzoic acid
CID 62369937
2-[1-(4-bromo-3-methylphenyl)-1,4-diazepan-2-yl]acetic acid
CID 84608016

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-4-piperidin-3-ylpiperazine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-4-piperidin-3-ylpiperazine (CID 117026191) is 1-(4-bromo-3-methylphenyl)-4-piperidin-3-ylpiperazine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-4-piperidin-3-ylpiperazine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-4-piperidin-3-ylpiperazine is Cc1cc(N2CCN(C3CCCNC3)CC2)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-4-piperidin-3-ylpiperazine?
The InChIKey is QQTQZGDBCZDBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3/c1-13-11-14(4-5-16(13)17)19-7-9-20(10-8-19)15-3-2-6-18-12-15/h4-5,11,15,18H,2-3,6-10,12H2,1H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-4-piperidin-3-ylpiperazine?
1-(4-bromo-3-methylphenyl)-4-piperidin-3-ylpiperazine has a molecular weight of 338.29 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-4-piperidin-3-ylpiperazine is sourced from PubChem (CID 117026191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).