1-(3-bromopropyl)-4-propan-2-ylpiperazine

C10H21BrN2 — CID 61288567

IUPAC1-(3-bromopropyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CCCBr)CC1
InChIInChI=1S/C10H21BrN2/c1-10(2)13-8-6-12(7-9-13)5-3-4-11/h10H,3-9H2,1-2H3
InChIKeyRKIFQYFBXGMVPW-UHFFFAOYSA-N
MW249.20 g/mol
LogP1.80
Rot. Bonds4

About 1-(3-bromopropyl)-4-propan-2-ylpiperazine

1-(3-bromopropyl)-4-propan-2-ylpiperazine (PubChem CID 61288567) has the molecular formula C10H21BrN2 and a molecular weight of 249.20 g/mol. Its IUPAC name is 1-(3-bromopropyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3-bromopropyl)-4-propan-2-ylpiperazine
PubChem CID61288567
Molecular FormulaC10H21BrN2
Molecular Weight249.20 g/mol
Exact Mass248.09
IUPAC Name1-(3-bromopropyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CCCBr)CC1
InChIInChI=1S/C10H21BrN2/c1-10(2)13-8-6-12(7-9-13)5-3-4-11/h10H,3-9H2,1-2H3
InChIKeyRKIFQYFBXGMVPW-UHFFFAOYSA-N
XLogP1.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 51.80
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-(3-bromopropyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(3-bromopropyl)-4-propan-2-ylpiperazine (CID 61288567) is 1-(3-bromopropyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3-bromopropyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(3-bromopropyl)-4-propan-2-ylpiperazine is CC(C)N1CCN(CCCBr)CC1.
What is the InChIKey of 1-(3-bromopropyl)-4-propan-2-ylpiperazine?
The InChIKey is RKIFQYFBXGMVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrN2/c1-10(2)13-8-6-12(7-9-13)5-3-4-11/h10H,3-9H2,1-2H3.
What are the key properties of 1-(3-bromopropyl)-4-propan-2-ylpiperazine?
1-(3-bromopropyl)-4-propan-2-ylpiperazine has a molecular weight of 249.20 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 61288567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).