1-(1-bromopropyl)piperazine

C7H15BrN2 — CID 135292234

IUPAC1-(1-bromopropyl)piperazine
SMILESCCC(Br)N1CCNCC1
InChIInChI=1S/C7H15BrN2/c1-2-7(8)10-5-3-9-4-6-10/h7,9H,2-6H2,1H3
InChIKeyQKRDPQXUQQGPMZ-UHFFFAOYSA-N
MW207.11 g/mol
LogP1.02
Rot. Bonds2

About 1-(1-bromopropyl)piperazine

1-(1-bromopropyl)piperazine (PubChem CID 135292234) has the molecular formula C7H15BrN2 and a molecular weight of 207.11 g/mol. Its IUPAC name is 1-(1-bromopropyl)piperazine.

Molecular Properties

Compound Name1-(1-bromopropyl)piperazine
PubChem CID135292234
Molecular FormulaC7H15BrN2
Molecular Weight207.11 g/mol
Exact Mass206.04
IUPAC Name1-(1-bromopropyl)piperazine
SMILESCCC(Br)N1CCNCC1
InChIInChI=1S/C7H15BrN2/c1-2-7(8)10-5-3-9-4-6-10/h7,9H,2-6H2,1H3
InChIKeyQKRDPQXUQQGPMZ-UHFFFAOYSA-N
XLogP1.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(1-fluoropropyl)piperazine
CID 91569783
1-[(3R)-hexan-3-yl]piperazine
CID 94350939
3-piperazin-1-ylpentan-2-one
CID 68969032
(2R)-2-piperazin-1-ylbutanoic acid
CID 7200835
1-(1,4-diazepan-1-yl)propan-1-ol
CID 70607073
1-(1-piperazin-1-ylpentan-3-yl)piperazine
CID 57104516
1-[1-(2-methylcyclopropyl)propyl]piperazine
CID 130624289
1-ethylpiperazine;1-propan-2-ylpiperazine
CID 70370755
1-propan-2-ylpiperazine;vanadium
CID 162375922
1-(1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-ol
CID 175348345
fluoromethane;1-(1-methoxybutan-2-yl)piperazine
CID 162038929
1-[(1S)-1-(3,5-dibromophenyl)propyl]piperazine;dihydrochloride
CID 171282713

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromopropyl)piperazine?
The IUPAC name of 1-(1-bromopropyl)piperazine (CID 135292234) is 1-(1-bromopropyl)piperazine.
What is the SMILES notation for 1-(1-bromopropyl)piperazine?
The canonical SMILES for 1-(1-bromopropyl)piperazine is CCC(Br)N1CCNCC1.
What is the InChIKey of 1-(1-bromopropyl)piperazine?
The InChIKey is QKRDPQXUQQGPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrN2/c1-2-7(8)10-5-3-9-4-6-10/h7,9H,2-6H2,1H3.
What are the key properties of 1-(1-bromopropyl)piperazine?
1-(1-bromopropyl)piperazine has a molecular weight of 207.11 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromopropyl)piperazine is sourced from PubChem (CID 135292234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).