1-[(4-chlorophenyl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine

C17H25ClN2 — CID 64878272

IUPAC1-[(4-chlorophenyl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine
SMILESCC1(C2CC2)CN(Cc2ccc(Cl)cc2)C(C)(C)CN1
InChIInChI=1S/C17H25ClN2/c1-16(2)11-19-17(3,14-6-7-14)12-20(16)10-13-4-8-15(18)9-5-13/h4-5,8-9,14,19H,6-7,10-12H2,1-3H3
InChIKeyZFRIXFQBSQMFTC-UHFFFAOYSA-N
MW292.85 g/mol
LogP3.69
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine

1-[(4-chlorophenyl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine (PubChem CID 64878272) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine
PubChem CID64878272
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name1-[(4-chlorophenyl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine
SMILESCC1(C2CC2)CN(Cc2ccc(Cl)cc2)C(C)(C)CN1
InChIInChI=1S/C17H25ClN2/c1-16(2)11-19-17(3,14-6-7-14)12-20(16)10-13-4-8-15(18)9-5-13/h4-5,8-9,14,19H,6-7,10-12H2,1-3H3
InChIKeyZFRIXFQBSQMFTC-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 53.69
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]-5-cyclopropyl-2,2,5-trimethylpiperazine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine (CID 64878272) is 1-[(4-chlorophenyl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine is CC1(C2CC2)CN(Cc2ccc(Cl)cc2)C(C)(C)CN1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine?
The InChIKey is ZFRIXFQBSQMFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-16(2)11-19-17(3,14-6-7-14)12-20(16)10-13-4-8-15(18)9-5-13/h4-5,8-9,14,19H,6-7,10-12H2,1-3H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine?
1-[(4-chlorophenyl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine has a molecular weight of 292.85 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine is sourced from PubChem (CID 64878272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).