1-[[1-(bromomethyl)cycloheptyl]methyl]-4-cyclopropylpiperazine

C16H29BrN2 — CID 65009981

IUPAC1-[[1-(bromomethyl)cycloheptyl]methyl]-4-cyclopropylpiperazine
SMILESBrCC1(CN2CCN(C3CC3)CC2)CCCCCC1
InChIInChI=1S/C16H29BrN2/c17-13-16(7-3-1-2-4-8-16)14-18-9-11-19(12-10-18)15-5-6-15/h15H,1-14H2
InChIKeyWTXKIAUDTWUASX-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.50
Rot. Bonds4

About 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-cyclopropylpiperazine

1-[[1-(bromomethyl)cycloheptyl]methyl]-4-cyclopropylpiperazine (PubChem CID 65009981) has the molecular formula C16H29BrN2 and a molecular weight of 329.33 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-cyclopropylpiperazine.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cycloheptyl]methyl]-4-cyclopropylpiperazine
PubChem CID65009981
Molecular FormulaC16H29BrN2
Molecular Weight329.33 g/mol
Exact Mass328.15
IUPAC Name1-[[1-(bromomethyl)cycloheptyl]methyl]-4-cyclopropylpiperazine
SMILESBrCC1(CN2CCN(C3CC3)CC2)CCCCCC1
InChIInChI=1S/C16H29BrN2/c17-13-16(7-3-1-2-4-8-16)14-18-9-11-19(12-10-18)15-5-6-15/h15H,1-14H2
InChIKeyWTXKIAUDTWUASX-UHFFFAOYSA-N
XLogP3.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.50
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

1-[[1-(Bromomethyl)cyclohexyl]methyl]-4-(cyclopropylmethyl)piperazine
CID 65001765
1-[[1-(Bromomethyl)cyclohexyl]methyl]-4-cyclopropylpiperazine
CID 65002525
1-[[1-(Bromomethyl)cyclohexyl]methyl]-4-butan-2-ylpiperazine
CID 65002529
1-[2-(Bromomethyl)-2-propylpentyl]-4-cyclopropylpiperazine
CID 65005076
4-[[1-(Bromomethyl)cycloheptyl]methyl]-1,2,2-trimethylpiperazine
CID 65007329
N-[[1-(bromomethyl)cycloheptyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 65007383
1-[[1-(Bromomethyl)cycloheptyl]methyl]-4-butan-2-ylpiperazine
CID 65007384
1-[[1-(Bromomethyl)cycloheptyl]methyl]-4-(2-methylpropyl)piperazine
CID 65007437
2-[4-[[1-(bromomethyl)cycloheptyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 65007491
1-[1-[[1-(Bromomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]piperidine
CID 65007914
4-[[1-(Bromomethyl)cycloheptyl]methyl]-1,2-dimethylpiperazine
CID 65008123
4-[[1-(Bromomethyl)cycloheptyl]methyl]-1-ethyl-2-methylpiperazine
CID 65008124

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-cyclopropylpiperazine?
The IUPAC name of 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-cyclopropylpiperazine (CID 65009981) is 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-cyclopropylpiperazine.
What is the SMILES notation for 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-cyclopropylpiperazine?
The canonical SMILES for 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-cyclopropylpiperazine is BrCC1(CN2CCN(C3CC3)CC2)CCCCCC1.
What is the InChIKey of 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-cyclopropylpiperazine?
The InChIKey is WTXKIAUDTWUASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29BrN2/c17-13-16(7-3-1-2-4-8-16)14-18-9-11-19(12-10-18)15-5-6-15/h15H,1-14H2.
What are the key properties of 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-cyclopropylpiperazine?
1-[[1-(bromomethyl)cycloheptyl]methyl]-4-cyclopropylpiperazine has a molecular weight of 329.33 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-cyclopropylpiperazine is sourced from PubChem (CID 65009981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).