4-(4-chlorobutyl)-1,2-dimethylpiperazine

C10H21ClN2 — CID 63635546

IUPAC4-(4-chlorobutyl)-1,2-dimethylpiperazine
SMILESCC1CN(CCCCCl)CCN1C
InChIInChI=1S/C10H21ClN2/c1-10-9-13(6-4-3-5-11)8-7-12(10)2/h10H,3-9H2,1-2H3
InChIKeyIENYSGWHEKSNPA-UHFFFAOYSA-N
MW204.74 g/mol
LogP1.64
Rot. Bonds4

About 4-(4-chlorobutyl)-1,2-dimethylpiperazine

4-(4-chlorobutyl)-1,2-dimethylpiperazine (PubChem CID 63635546) has the molecular formula C10H21ClN2 and a molecular weight of 204.74 g/mol. Its IUPAC name is 4-(4-chlorobutyl)-1,2-dimethylpiperazine.

Molecular Properties

Compound Name4-(4-chlorobutyl)-1,2-dimethylpiperazine
PubChem CID63635546
Molecular FormulaC10H21ClN2
Molecular Weight204.74 g/mol
Exact Mass204.14
IUPAC Name4-(4-chlorobutyl)-1,2-dimethylpiperazine
SMILESCC1CN(CCCCCl)CCN1C
InChIInChI=1S/C10H21ClN2/c1-10-9-13(6-4-3-5-11)8-7-12(10)2/h10H,3-9H2,1-2H3
InChIKeyIENYSGWHEKSNPA-UHFFFAOYSA-N
XLogP1.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.74
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorobutyl)-1,2-dimethylpiperazine?
The IUPAC name of 4-(4-chlorobutyl)-1,2-dimethylpiperazine (CID 63635546) is 4-(4-chlorobutyl)-1,2-dimethylpiperazine.
What is the SMILES notation for 4-(4-chlorobutyl)-1,2-dimethylpiperazine?
The canonical SMILES for 4-(4-chlorobutyl)-1,2-dimethylpiperazine is CC1CN(CCCCCl)CCN1C.
What is the InChIKey of 4-(4-chlorobutyl)-1,2-dimethylpiperazine?
The InChIKey is IENYSGWHEKSNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClN2/c1-10-9-13(6-4-3-5-11)8-7-12(10)2/h10H,3-9H2,1-2H3.
What are the key properties of 4-(4-chlorobutyl)-1,2-dimethylpiperazine?
4-(4-chlorobutyl)-1,2-dimethylpiperazine has a molecular weight of 204.74 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobutyl)-1,2-dimethylpiperazine is sourced from PubChem (CID 63635546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).