N-[(4-bromophenyl)methyl]-N-methyl-3-piperazin-1-ylpropan-1-amine

C15H24BrN3 — CID 115230571

IUPACN-[(4-bromophenyl)methyl]-N-methyl-3-piperazin-1-ylpropan-1-amine
SMILESCN(CCCN1CCNCC1)Cc1ccc(Br)cc1
InChIInChI=1S/C15H24BrN3/c1-18(13-14-3-5-15(16)6-4-14)9-2-10-19-11-7-17-8-12-19/h3-6,17H,2,7-13H2,1H3
InChIKeyDMRMBUOMCUTJCV-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.18
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-N-methyl-3-piperazin-1-ylpropan-1-amine

N-[(4-bromophenyl)methyl]-N-methyl-3-piperazin-1-ylpropan-1-amine (PubChem CID 115230571) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-3-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-3-piperazin-1-ylpropan-1-amine
PubChem CID115230571
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-3-piperazin-1-ylpropan-1-amine
SMILESCN(CCCN1CCNCC1)Cc1ccc(Br)cc1
InChIInChI=1S/C15H24BrN3/c1-18(13-14-3-5-15(16)6-4-14)9-2-10-19-11-7-17-8-12-19/h3-6,17H,2,7-13H2,1H3
InChIKeyDMRMBUOMCUTJCV-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 115240401
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CID 63267585
N-[(3-bromo-4-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 83230304
[4-[[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenyl]methanol
CID 110009684
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 60850565
N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine
CID 55137660
N-[(4-bromophenyl)methyl]-N-methyl-3-piperidin-2-ylpropan-1-amine
CID 55047549
N-methyl-1-(4-methylphenyl)-N-(piperazin-1-ylmethyl)methanamine
CID 115230053
4-[[(4-bromophenyl)methyl-methylamino]methyl]piperidin-4-ol
CID 55048485
N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60777785
N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929518
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(2-piperazin-1-ylethyl)propanamide
CID 42695374

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-3-piperazin-1-ylpropan-1-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-3-piperazin-1-ylpropan-1-amine (CID 115230571) is N-[(4-bromophenyl)methyl]-N-methyl-3-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-3-piperazin-1-ylpropan-1-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-3-piperazin-1-ylpropan-1-amine is CN(CCCN1CCNCC1)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-3-piperazin-1-ylpropan-1-amine?
The InChIKey is DMRMBUOMCUTJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-18(13-14-3-5-15(16)6-4-14)9-2-10-19-11-7-17-8-12-19/h3-6,17H,2,7-13H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-3-piperazin-1-ylpropan-1-amine?
N-[(4-bromophenyl)methyl]-N-methyl-3-piperazin-1-ylpropan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyl-3-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 115230571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).