1-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-amine;hydrochloride

C15H25BrClN3 — CID 120847697

IUPAC1-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)CN1CCN(Cc2ccc(Br)cc2)CC1.Cl
InChIInChI=1S/C15H24BrN3.ClH/c1-15(2,17)12-19-9-7-18(8-10-19)11-13-3-5-14(16)6-4-13;/h3-6H,7-12,17H2,1-2H3;1H
InChIKeyLLUJYTTXHMRLRC-UHFFFAOYSA-N
MW362.74 g/mol
LogP2.73
Rot. Bonds4

About 1-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-amine;hydrochloride

1-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-amine;hydrochloride (PubChem CID 120847697) has the molecular formula C15H25BrClN3 and a molecular weight of 362.74 g/mol. Its IUPAC name is 1-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-amine;hydrochloride
PubChem CID120847697
Molecular FormulaC15H25BrClN3
Molecular Weight362.74 g/mol
Exact Mass361.09
IUPAC Name1-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)CN1CCN(Cc2ccc(Br)cc2)CC1.Cl
InChIInChI=1S/C15H24BrN3.ClH/c1-15(2,17)12-19-9-7-18(8-10-19)11-13-3-5-14(16)6-4-13;/h3-6H,7-12,17H2,1-2H3;1H
InChIKeyLLUJYTTXHMRLRC-UHFFFAOYSA-N
XLogP2.73
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.74
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4,7,10-tetrakis[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 71732809
1-[(4-bromophenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 52542822
1-[(4-bromophenyl)methyl]-4-methylpiperazine
CID 22197612
1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120847332
1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923471
4,13-bis[(4-bromophenyl)methyl]-7,16,21,24-tetramethyl-1,4,7,10,13,16,21,24-octazabicyclo[8.8.8]hexacosane
CID 166072778
1-[(4-bromophenyl)methyl]-4-ethylpiperidine
CID 63456491
1-[(4-bromophenyl)methyl]-4,4-dimethylpiperidine
CID 58266760
[4-[(4-bromophenyl)methyl]piperazin-1-yl] 2,2-dimethylpropanoate
CID 174733919
1-[2-(4-bromophenyl)morpholin-4-yl]-2-methylpropan-2-amine;hydrochloride
CID 120847988
4-bromo-1-[(4-bromophenyl)methyl]piperidine
CID 80680051
2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]propanethioamide
CID 63341528

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-amine;hydrochloride (CID 120847697) is 1-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-amine;hydrochloride is CC(C)(N)CN1CCN(Cc2ccc(Br)cc2)CC1.Cl.
What is the InChIKey of 1-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-amine;hydrochloride?
The InChIKey is LLUJYTTXHMRLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3.ClH/c1-15(2,17)12-19-9-7-18(8-10-19)11-13-3-5-14(16)6-4-13;/h3-6H,7-12,17H2,1-2H3;1H.
What are the key properties of 1-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-amine;hydrochloride?
1-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-amine;hydrochloride has a molecular weight of 362.74 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 120847697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).