1-(9-bromononyl)-4-methylpiperazine

C14H29BrN2 — CID 105343553

IUPAC1-(9-bromononyl)-4-methylpiperazine
SMILESCN1CCN(CCCCCCCCCBr)CC1
InChIInChI=1S/C14H29BrN2/c1-16-11-13-17(14-12-16)10-8-6-4-2-3-5-7-9-15/h2-14H2,1H3
InChIKeyNCZDXYRDTZDUPJ-UHFFFAOYSA-N
MW305.30 g/mol
LogP3.36
Rot. Bonds9

About 1-(9-bromononyl)-4-methylpiperazine

1-(9-bromononyl)-4-methylpiperazine (PubChem CID 105343553) has the molecular formula C14H29BrN2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 1-(9-bromononyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(9-bromononyl)-4-methylpiperazine
PubChem CID105343553
Molecular FormulaC14H29BrN2
Molecular Weight305.30 g/mol
Exact Mass304.15
IUPAC Name1-(9-bromononyl)-4-methylpiperazine
SMILESCN1CCN(CCCCCCCCCBr)CC1
InChIInChI=1S/C14H29BrN2/c1-16-11-13-17(14-12-16)10-8-6-4-2-3-5-7-9-15/h2-14H2,1H3
InChIKeyNCZDXYRDTZDUPJ-UHFFFAOYSA-N
XLogP3.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethane;1-methyl-4-pentylpiperazine
CID 145099418
7-(4-methylpiperazin-1-yl)heptane-1-thiol
CID 144712055
10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
CID 22218533
ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
CID 165116575
1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 54547768
acetylene;1-methyl-4-octylpiperazine
CID 144712197
1-(2-bromoethyl)-4-dodecylpiperazine
CID 80675071
1-[4-(9-bromononyl)-1,4-diazepan-1-yl]ethanone
CID 105343708
ethane;methyl 4-(4-methylpiperazin-1-yl)butanoate
CID 171562662
1-(9-bromononyl)-4,4-diethylpiperidine
CID 105343769
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride
CID 174573387

Frequently Asked Questions

What is the IUPAC name of 1-(9-bromononyl)-4-methylpiperazine?
The IUPAC name of 1-(9-bromononyl)-4-methylpiperazine (CID 105343553) is 1-(9-bromononyl)-4-methylpiperazine.
What is the SMILES notation for 1-(9-bromononyl)-4-methylpiperazine?
The canonical SMILES for 1-(9-bromononyl)-4-methylpiperazine is CN1CCN(CCCCCCCCCBr)CC1.
What is the InChIKey of 1-(9-bromononyl)-4-methylpiperazine?
The InChIKey is NCZDXYRDTZDUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29BrN2/c1-16-11-13-17(14-12-16)10-8-6-4-2-3-5-7-9-15/h2-14H2,1H3.
What are the key properties of 1-(9-bromononyl)-4-methylpiperazine?
1-(9-bromononyl)-4-methylpiperazine has a molecular weight of 305.30 g/mol, XLogP of 3.36, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-bromononyl)-4-methylpiperazine is sourced from PubChem (CID 105343553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).