1-(4-chlorophenyl)-3,3-diethylpiperazine

C14H21ClN2 — CID 64925456

IUPAC1-(4-chlorophenyl)-3,3-diethylpiperazine
SMILESCCC1(CC)CN(c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C14H21ClN2/c1-3-14(4-2)11-17(10-9-16-14)13-7-5-12(15)6-8-13/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyBZYNGNWEKNPREO-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.31
Rot. Bonds3

About 1-(4-chlorophenyl)-3,3-diethylpiperazine

1-(4-chlorophenyl)-3,3-diethylpiperazine (PubChem CID 64925456) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3,3-diethylpiperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3,3-diethylpiperazine
PubChem CID64925456
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-(4-chlorophenyl)-3,3-diethylpiperazine
SMILESCCC1(CC)CN(c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C14H21ClN2/c1-3-14(4-2)11-17(10-9-16-14)13-7-5-12(15)6-8-13/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyBZYNGNWEKNPREO-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3,3-diethylpiperazine?
The IUPAC name of 1-(4-chlorophenyl)-3,3-diethylpiperazine (CID 64925456) is 1-(4-chlorophenyl)-3,3-diethylpiperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-3,3-diethylpiperazine?
The canonical SMILES for 1-(4-chlorophenyl)-3,3-diethylpiperazine is CCC1(CC)CN(c2ccc(Cl)cc2)CCN1.
What is the InChIKey of 1-(4-chlorophenyl)-3,3-diethylpiperazine?
The InChIKey is BZYNGNWEKNPREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-3-14(4-2)11-17(10-9-16-14)13-7-5-12(15)6-8-13/h5-8,16H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3,3-diethylpiperazine?
1-(4-chlorophenyl)-3,3-diethylpiperazine has a molecular weight of 252.79 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3,3-diethylpiperazine is sourced from PubChem (CID 64925456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).