1-chloro-4-propylpiperazine

C7H15ClN2 — CID 118669898

IUPAC1-chloro-4-propylpiperazine
SMILESCCCN1CCN(Cl)CC1
InChIInChI=1S/C7H15ClN2/c1-2-3-9-4-6-10(8)7-5-9/h2-7H2,1H3
InChIKeyWCHBCWOJBFHHMJ-UHFFFAOYSA-N
MW162.66 g/mol
LogP1.17
Rot. Bonds2

About 1-chloro-4-propylpiperazine

1-chloro-4-propylpiperazine (PubChem CID 118669898) has the molecular formula C7H15ClN2 and a molecular weight of 162.66 g/mol. Its IUPAC name is 1-chloro-4-propylpiperazine.

Molecular Properties

Compound Name1-chloro-4-propylpiperazine
PubChem CID118669898
Molecular FormulaC7H15ClN2
Molecular Weight162.66 g/mol
Exact Mass162.09
IUPAC Name1-chloro-4-propylpiperazine
SMILESCCCN1CCN(Cl)CC1
InChIInChI=1S/C7H15ClN2/c1-2-3-9-4-6-10(8)7-5-9/h2-7H2,1H3
InChIKeyWCHBCWOJBFHHMJ-UHFFFAOYSA-N
XLogP1.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-propylpiperazine?
The IUPAC name of 1-chloro-4-propylpiperazine (CID 118669898) is 1-chloro-4-propylpiperazine.
What is the SMILES notation for 1-chloro-4-propylpiperazine?
The canonical SMILES for 1-chloro-4-propylpiperazine is CCCN1CCN(Cl)CC1.
What is the InChIKey of 1-chloro-4-propylpiperazine?
The InChIKey is WCHBCWOJBFHHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClN2/c1-2-3-9-4-6-10(8)7-5-9/h2-7H2,1H3.
What are the key properties of 1-chloro-4-propylpiperazine?
1-chloro-4-propylpiperazine has a molecular weight of 162.66 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-propylpiperazine is sourced from PubChem (CID 118669898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).