1-[[1-(bromomethyl)cyclohexyl]methyl]-4-(cyclopropylmethyl)piperazine

C16H29BrN2 — CID 65001765

IUPAC1-[[1-(bromomethyl)cyclohexyl]methyl]-4-(cyclopropylmethyl)piperazine
SMILESBrCC1(CN2CCN(CC3CC3)CC2)CCCCC1
InChIInChI=1S/C16H29BrN2/c17-13-16(6-2-1-3-7-16)14-19-10-8-18(9-11-19)12-15-4-5-15/h15H,1-14H2
InChIKeyHHPICQXVZUDCQD-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.36
Rot. Bonds5

About 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-(cyclopropylmethyl)piperazine

1-[[1-(bromomethyl)cyclohexyl]methyl]-4-(cyclopropylmethyl)piperazine (PubChem CID 65001765) has the molecular formula C16H29BrN2 and a molecular weight of 329.33 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-(cyclopropylmethyl)piperazine.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclohexyl]methyl]-4-(cyclopropylmethyl)piperazine
PubChem CID65001765
Molecular FormulaC16H29BrN2
Molecular Weight329.33 g/mol
Exact Mass328.15
IUPAC Name1-[[1-(bromomethyl)cyclohexyl]methyl]-4-(cyclopropylmethyl)piperazine
SMILESBrCC1(CN2CCN(CC3CC3)CC2)CCCCC1
InChIInChI=1S/C16H29BrN2/c17-13-16(6-2-1-3-7-16)14-19-10-8-18(9-11-19)12-15-4-5-15/h15H,1-14H2
InChIKeyHHPICQXVZUDCQD-UHFFFAOYSA-N
XLogP3.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-(cyclopropylmethyl)piperazine?
The IUPAC name of 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-(cyclopropylmethyl)piperazine (CID 65001765) is 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-(cyclopropylmethyl)piperazine.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-(cyclopropylmethyl)piperazine?
The canonical SMILES for 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-(cyclopropylmethyl)piperazine is BrCC1(CN2CCN(CC3CC3)CC2)CCCCC1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-(cyclopropylmethyl)piperazine?
The InChIKey is HHPICQXVZUDCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29BrN2/c17-13-16(6-2-1-3-7-16)14-19-10-8-18(9-11-19)12-15-4-5-15/h15H,1-14H2.
What are the key properties of 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-(cyclopropylmethyl)piperazine?
1-[[1-(bromomethyl)cyclohexyl]methyl]-4-(cyclopropylmethyl)piperazine has a molecular weight of 329.33 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-(cyclopropylmethyl)piperazine is sourced from PubChem (CID 65001765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).