1-[2-(bromomethyl)pentyl]-4-butan-2-ylpiperazine

C14H29BrN2 — CID 65012847

IUPAC1-[2-(bromomethyl)pentyl]-4-butan-2-ylpiperazine
SMILESCCCC(CBr)CN1CCN(C(C)CC)CC1
InChIInChI=1S/C14H29BrN2/c1-4-6-14(11-15)12-16-7-9-17(10-8-16)13(3)5-2/h13-14H,4-12H2,1-3H3
InChIKeyGOSGWZWMDVJPJW-UHFFFAOYSA-N
MW305.30 g/mol
LogP3.21
Rot. Bonds7

About 1-[2-(bromomethyl)pentyl]-4-butan-2-ylpiperazine

1-[2-(bromomethyl)pentyl]-4-butan-2-ylpiperazine (PubChem CID 65012847) has the molecular formula C14H29BrN2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 1-[2-(bromomethyl)pentyl]-4-butan-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-(bromomethyl)pentyl]-4-butan-2-ylpiperazine
PubChem CID65012847
Molecular FormulaC14H29BrN2
Molecular Weight305.30 g/mol
Exact Mass304.15
IUPAC Name1-[2-(bromomethyl)pentyl]-4-butan-2-ylpiperazine
SMILESCCCC(CBr)CN1CCN(C(C)CC)CC1
InChIInChI=1S/C14H29BrN2/c1-4-6-14(11-15)12-16-7-9-17(10-8-16)13(3)5-2/h13-14H,4-12H2,1-3H3
InChIKeyGOSGWZWMDVJPJW-UHFFFAOYSA-N
XLogP3.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(4-butan-2-ylpiperazin-1-yl)propan-1-ol
CID 64786472
1-[2-(bromomethyl)butyl]-4-ethylpiperazine
CID 65000720
2-[4-[2-(bromomethyl)pentyl]piperazin-1-yl]pyrimidine
CID 65010832
3-(4-butan-2-ylpiperazin-1-yl)-2-methylpropanenitrile
CID 62772469
1-(4-butan-2-ylpiperazin-1-yl)-N-methylbutan-2-amine
CID 62774213
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]pentan-2-amine
CID 62773872
2-amino-3-(4-butan-2-ylpiperazin-1-yl)propanenitrile
CID 62772513
1-butan-2-yl-4-(2,2-dimethylpropyl)piperazine
CID 122645241
1-(2-bromoethyl)-4-pentan-2-yl-1,4-diazepane
CID 107887476
1-butan-2-yl-4-[(2R)-2-methyl-4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine
CID 175628957
1-[2-(bromomethyl)pentyl]-2-methylpiperidine
CID 65011001
7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 65013050

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)pentyl]-4-butan-2-ylpiperazine?
The IUPAC name of 1-[2-(bromomethyl)pentyl]-4-butan-2-ylpiperazine (CID 65012847) is 1-[2-(bromomethyl)pentyl]-4-butan-2-ylpiperazine.
What is the SMILES notation for 1-[2-(bromomethyl)pentyl]-4-butan-2-ylpiperazine?
The canonical SMILES for 1-[2-(bromomethyl)pentyl]-4-butan-2-ylpiperazine is CCCC(CBr)CN1CCN(C(C)CC)CC1.
What is the InChIKey of 1-[2-(bromomethyl)pentyl]-4-butan-2-ylpiperazine?
The InChIKey is GOSGWZWMDVJPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29BrN2/c1-4-6-14(11-15)12-16-7-9-17(10-8-16)13(3)5-2/h13-14H,4-12H2,1-3H3.
What are the key properties of 1-[2-(bromomethyl)pentyl]-4-butan-2-ylpiperazine?
1-[2-(bromomethyl)pentyl]-4-butan-2-ylpiperazine has a molecular weight of 305.30 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)pentyl]-4-butan-2-ylpiperazine is sourced from PubChem (CID 65012847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).