1-[2-(bromomethyl)-2-propylpentyl]-4-cyclopropylpiperazine

C16H31BrN2 — CID 65005076

IUPAC1-[2-(bromomethyl)-2-propylpentyl]-4-cyclopropylpiperazine
SMILESCCCC(CBr)(CCC)CN1CCN(C2CC2)CC1
InChIInChI=1S/C16H31BrN2/c1-3-7-16(13-17,8-4-2)14-18-9-11-19(12-10-18)15-5-6-15/h15H,3-14H2,1-2H3
InChIKeyVWOROCYYAMGMFI-UHFFFAOYSA-N
MW331.34 g/mol
LogP3.75
Rot. Bonds8

About 1-[2-(bromomethyl)-2-propylpentyl]-4-cyclopropylpiperazine

1-[2-(bromomethyl)-2-propylpentyl]-4-cyclopropylpiperazine (PubChem CID 65005076) has the molecular formula C16H31BrN2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-2-propylpentyl]-4-cyclopropylpiperazine.

Molecular Properties

Compound Name1-[2-(bromomethyl)-2-propylpentyl]-4-cyclopropylpiperazine
PubChem CID65005076
Molecular FormulaC16H31BrN2
Molecular Weight331.34 g/mol
Exact Mass330.17
IUPAC Name1-[2-(bromomethyl)-2-propylpentyl]-4-cyclopropylpiperazine
SMILESCCCC(CBr)(CCC)CN1CCN(C2CC2)CC1
InChIInChI=1S/C16H31BrN2/c1-3-7-16(13-17,8-4-2)14-18-9-11-19(12-10-18)15-5-6-15/h15H,3-14H2,1-2H3
InChIKeyVWOROCYYAMGMFI-UHFFFAOYSA-N
XLogP3.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 53.75
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-[2-(bromomethyl)-2-propylpentyl]-4-cyclopropylpiperazine?
The IUPAC name of 1-[2-(bromomethyl)-2-propylpentyl]-4-cyclopropylpiperazine (CID 65005076) is 1-[2-(bromomethyl)-2-propylpentyl]-4-cyclopropylpiperazine.
What is the SMILES notation for 1-[2-(bromomethyl)-2-propylpentyl]-4-cyclopropylpiperazine?
The canonical SMILES for 1-[2-(bromomethyl)-2-propylpentyl]-4-cyclopropylpiperazine is CCCC(CBr)(CCC)CN1CCN(C2CC2)CC1.
What is the InChIKey of 1-[2-(bromomethyl)-2-propylpentyl]-4-cyclopropylpiperazine?
The InChIKey is VWOROCYYAMGMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31BrN2/c1-3-7-16(13-17,8-4-2)14-18-9-11-19(12-10-18)15-5-6-15/h15H,3-14H2,1-2H3.
What are the key properties of 1-[2-(bromomethyl)-2-propylpentyl]-4-cyclopropylpiperazine?
1-[2-(bromomethyl)-2-propylpentyl]-4-cyclopropylpiperazine has a molecular weight of 331.34 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-2-propylpentyl]-4-cyclopropylpiperazine is sourced from PubChem (CID 65005076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).