1-(4-chlorophenyl)-3-propylpiperazine

C13H19ClN2 — CID 64925256

IUPAC1-(4-chlorophenyl)-3-propylpiperazine
SMILESCCCC1CN(c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C13H19ClN2/c1-2-3-12-10-16(9-8-15-12)13-6-4-11(14)5-7-13/h4-7,12,15H,2-3,8-10H2,1H3
InChIKeyFUDMQMNOWYRBPO-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.92
Rot. Bonds3

About 1-(4-chlorophenyl)-3-propylpiperazine

1-(4-chlorophenyl)-3-propylpiperazine (PubChem CID 64925256) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-propylpiperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-propylpiperazine
PubChem CID64925256
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name1-(4-chlorophenyl)-3-propylpiperazine
SMILESCCCC1CN(c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C13H19ClN2/c1-2-3-12-10-16(9-8-15-12)13-6-4-11(14)5-7-13/h4-7,12,15H,2-3,8-10H2,1H3
InChIKeyFUDMQMNOWYRBPO-UHFFFAOYSA-N
XLogP2.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-propylpiperazine?
The IUPAC name of 1-(4-chlorophenyl)-3-propylpiperazine (CID 64925256) is 1-(4-chlorophenyl)-3-propylpiperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-propylpiperazine?
The canonical SMILES for 1-(4-chlorophenyl)-3-propylpiperazine is CCCC1CN(c2ccc(Cl)cc2)CCN1.
What is the InChIKey of 1-(4-chlorophenyl)-3-propylpiperazine?
The InChIKey is FUDMQMNOWYRBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-2-3-12-10-16(9-8-15-12)13-6-4-11(14)5-7-13/h4-7,12,15H,2-3,8-10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-propylpiperazine?
1-(4-chlorophenyl)-3-propylpiperazine has a molecular weight of 238.76 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-propylpiperazine is sourced from PubChem (CID 64925256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).