1-(5-bromo-2-methylphenyl)-N,N-dimethyl-1-piperazin-1-ylmethanamine

C14H22BrN3 — CID 116909703

IUPAC1-(5-bromo-2-methylphenyl)-N,N-dimethyl-1-piperazin-1-ylmethanamine
SMILESCc1ccc(Br)cc1C(N(C)C)N1CCNCC1
InChIInChI=1S/C14H22BrN3/c1-11-4-5-12(15)10-13(11)14(17(2)3)18-8-6-16-7-9-18/h4-5,10,14,16H,6-9H2,1-3H3
InChIKeyYMMFMMSANMFKHK-UHFFFAOYSA-N
MW312.26 g/mol
LogP2.22
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-1-piperazin-1-ylmethanamine

1-(5-bromo-2-methylphenyl)-N,N-dimethyl-1-piperazin-1-ylmethanamine (PubChem CID 116909703) has the molecular formula C14H22BrN3 and a molecular weight of 312.26 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-1-piperazin-1-ylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-N,N-dimethyl-1-piperazin-1-ylmethanamine
PubChem CID116909703
Molecular FormulaC14H22BrN3
Molecular Weight312.26 g/mol
Exact Mass311.10
IUPAC Name1-(5-bromo-2-methylphenyl)-N,N-dimethyl-1-piperazin-1-ylmethanamine
SMILESCc1ccc(Br)cc1C(N(C)C)N1CCNCC1
InChIInChI=1S/C14H22BrN3/c1-11-4-5-12(15)10-13(11)14(17(2)3)18-8-6-16-7-9-18/h4-5,10,14,16H,6-9H2,1-3H3
InChIKeyYMMFMMSANMFKHK-UHFFFAOYSA-N
XLogP2.22
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(5-bromo-2-methylphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171179200
1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
CID 116906891
(3R)-3-(5-bromo-2-methylphenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171190576
1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906846
1-(5-bromo-2-methylphenyl)-N,N-dimethylethanamine
CID 116914675
4-bromo-2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
CID 171285517
4-bromo-2-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol
CID 171174978
1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 82024010
2-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 82302460
1-[(1R)-1-(2,5-dibromophenyl)-2,2-difluoroethyl]piperazine
CID 171283601
1-(4-bromophenyl)-N,N-dimethyl-2-piperazin-1-ylpropan-1-amine
CID 116913981
1-[1-(4-bromo-2-chlorophenyl)ethyl]piperazine
CID 82773468

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-1-piperazin-1-ylmethanamine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-1-piperazin-1-ylmethanamine (CID 116909703) is 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-1-piperazin-1-ylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-1-piperazin-1-ylmethanamine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-1-piperazin-1-ylmethanamine is Cc1ccc(Br)cc1C(N(C)C)N1CCNCC1.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-1-piperazin-1-ylmethanamine?
The InChIKey is YMMFMMSANMFKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-11-4-5-12(15)10-13(11)14(17(2)3)18-8-6-16-7-9-18/h4-5,10,14,16H,6-9H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-1-piperazin-1-ylmethanamine?
1-(5-bromo-2-methylphenyl)-N,N-dimethyl-1-piperazin-1-ylmethanamine has a molecular weight of 312.26 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-1-piperazin-1-ylmethanamine is sourced from PubChem (CID 116909703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).