1-[1-(3-chlorophenyl)ethyl]-2,5-diethyl-5-methylpiperazine

C17H27ClN2 — CID 64945691

IUPAC1-[1-(3-chlorophenyl)ethyl]-2,5-diethyl-5-methylpiperazine
SMILESCCC1CNC(C)(CC)CN1C(C)c1cccc(Cl)c1
InChIInChI=1S/C17H27ClN2/c1-5-16-11-19-17(4,6-2)12-20(16)13(3)14-8-7-9-15(18)10-14/h7-10,13,16,19H,5-6,11-12H2,1-4H3
InChIKeyIKYNEROTIDDWBK-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.25
Rot. Bonds4

About 1-[1-(3-chlorophenyl)ethyl]-2,5-diethyl-5-methylpiperazine

1-[1-(3-chlorophenyl)ethyl]-2,5-diethyl-5-methylpiperazine (PubChem CID 64945691) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethyl]-2,5-diethyl-5-methylpiperazine.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethyl]-2,5-diethyl-5-methylpiperazine
PubChem CID64945691
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-[1-(3-chlorophenyl)ethyl]-2,5-diethyl-5-methylpiperazine
SMILESCCC1CNC(C)(CC)CN1C(C)c1cccc(Cl)c1
InChIInChI=1S/C17H27ClN2/c1-5-16-11-19-17(4,6-2)12-20(16)13(3)14-8-7-9-15(18)10-14/h7-10,13,16,19H,5-6,11-12H2,1-4H3
InChIKeyIKYNEROTIDDWBK-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-chlorophenyl)ethyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64946846
1-(2,5-dichlorophenyl)-2,5-diethyl-5-methylpiperazine
CID 64935058
4-[1-(2,5-diethyl-5-methylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79238267
5-cyclopropyl-2-ethyl-5-methyl-1-(1-phenylethyl)piperazine
CID 64932001
1-benzyl-2,5-diethyl-5-methylpiperazine
CID 64849828
1-(4-chloro-2-iodophenyl)-2,5-diethyl-5-methylpiperazine
CID 107640012
1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine
CID 64926315
2,5-diethyl-5-methyl-1-pent-1-yn-3-ylpiperazine
CID 106224493
5-cyclopropyl-2-ethyl-5-methyl-1-(1-pyridin-3-ylethyl)piperazine
CID 64934546
2-ethyl-5,5-dimethyl-1-(1-thiophen-2-ylethyl)piperazine
CID 64934167
1-(3-chlorophenyl)-1-(2-ethylpiperidin-1-yl)propan-2-amine
CID 55019306
1-(5-chloro-2-methoxyphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64935637

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-2,5-diethyl-5-methylpiperazine?
The IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-2,5-diethyl-5-methylpiperazine (CID 64945691) is 1-[1-(3-chlorophenyl)ethyl]-2,5-diethyl-5-methylpiperazine.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethyl]-2,5-diethyl-5-methylpiperazine?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethyl]-2,5-diethyl-5-methylpiperazine is CCC1CNC(C)(CC)CN1C(C)c1cccc(Cl)c1.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethyl]-2,5-diethyl-5-methylpiperazine?
The InChIKey is IKYNEROTIDDWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-5-16-11-19-17(4,6-2)12-20(16)13(3)14-8-7-9-15(18)10-14/h7-10,13,16,19H,5-6,11-12H2,1-4H3.
What are the key properties of 1-[1-(3-chlorophenyl)ethyl]-2,5-diethyl-5-methylpiperazine?
1-[1-(3-chlorophenyl)ethyl]-2,5-diethyl-5-methylpiperazine has a molecular weight of 294.87 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)ethyl]-2,5-diethyl-5-methylpiperazine is sourced from PubChem (CID 64945691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).