1-[(4-chlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine

C17H27ClN2 — CID 64840421

IUPAC1-[(4-chlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
SMILESCCC1(C)CNC(C(C)C)CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-5-17(4)12-19-16(13(2)3)11-20(17)10-14-6-8-15(18)9-7-14/h6-9,13,16,19H,5,10-12H2,1-4H3
InChIKeyJASBZDDBVIKYPS-UHFFFAOYSA-N
MW294.87 g/mol
LogP3.94
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine

1-[(4-chlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine (PubChem CID 64840421) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
PubChem CID64840421
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-[(4-chlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
SMILESCCC1(C)CNC(C(C)C)CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-5-17(4)12-19-16(13(2)3)11-20(17)10-14-6-8-15(18)9-7-14/h6-9,13,16,19H,5,10-12H2,1-4H3
InChIKeyJASBZDDBVIKYPS-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
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-ethyl-2-methyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine (CID 64840421) is 1-[(4-chlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine is CCC1(C)CNC(C(C)C)CN1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine?
The InChIKey is JASBZDDBVIKYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-5-17(4)12-19-16(13(2)3)11-20(17)10-14-6-8-15(18)9-7-14/h6-9,13,16,19H,5,10-12H2,1-4H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine?
1-[(4-chlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine has a molecular weight of 294.87 g/mol, XLogP of 3.94, 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-ethyl-2-methyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 64840421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).