1-[(4-chlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine

C17H27ClN2 — CID 64849867

IUPAC1-[(4-chlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CN(Cc2ccc(Cl)cc2)C(C)(CC)CN1
InChIInChI=1S/C17H27ClN2/c1-5-16(3)13-20(17(4,6-2)12-19-16)11-14-7-9-15(18)10-8-14/h7-10,19H,5-6,11-13H2,1-4H3
InChIKeyFJJOEWDTCYFKIL-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.08
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine

1-[(4-chlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine (PubChem CID 64849867) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine
PubChem CID64849867
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-[(4-chlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CN(Cc2ccc(Cl)cc2)C(C)(CC)CN1
InChIInChI=1S/C17H27ClN2/c1-5-16(3)13-20(17(4,6-2)12-19-16)11-14-7-9-15(18)10-8-14/h7-10,19H,5-6,11-13H2,1-4H3
InChIKeyFJJOEWDTCYFKIL-UHFFFAOYSA-N
XLogP4.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine (CID 64849867) is 1-[(4-chlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine is CCC1(C)CN(Cc2ccc(Cl)cc2)C(C)(CC)CN1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine?
The InChIKey is FJJOEWDTCYFKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-5-16(3)13-20(17(4,6-2)12-19-16)11-14-7-9-15(18)10-8-14/h7-10,19H,5-6,11-13H2,1-4H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine?
1-[(4-chlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine has a molecular weight of 294.87 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine is sourced from PubChem (CID 64849867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).