2-tert-butyl-1-[(2-fluorophenyl)methyl]-5-propan-2-ylpiperazine

C18H29FN2 — CID 64839634

IUPAC2-tert-butyl-1-[(2-fluorophenyl)methyl]-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(Cc2ccccc2F)C(C(C)(C)C)CN1
InChIInChI=1S/C18H29FN2/c1-13(2)16-12-21(17(10-20-16)18(3,4)5)11-14-8-6-7-9-15(14)19/h6-9,13,16-17,20H,10-12H2,1-5H3
InChIKeyKCJZTUKJZPZEEQ-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.67
Rot. Bonds3

About 2-tert-butyl-1-[(2-fluorophenyl)methyl]-5-propan-2-ylpiperazine

2-tert-butyl-1-[(2-fluorophenyl)methyl]-5-propan-2-ylpiperazine (PubChem CID 64839634) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 2-tert-butyl-1-[(2-fluorophenyl)methyl]-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-[(2-fluorophenyl)methyl]-5-propan-2-ylpiperazine
PubChem CID64839634
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name2-tert-butyl-1-[(2-fluorophenyl)methyl]-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(Cc2ccccc2F)C(C(C)(C)C)CN1
InChIInChI=1S/C18H29FN2/c1-13(2)16-12-21(17(10-20-16)18(3,4)5)11-14-8-6-7-9-15(14)19/h6-9,13,16-17,20H,10-12H2,1-5H3
InChIKeyKCJZTUKJZPZEEQ-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2-tert-butyl-5-propan-2-ylpiperazine
CID 64839049
5-tert-butyl-1-[(2-fluorophenyl)methyl]-2-propan-2-ylpiperazine
CID 64843383
1-[2-(2-fluorophenyl)ethyl]-2,5-di(propan-2-yl)piperazine
CID 64953673
1-[(2,3-difluorophenyl)methyl]-5-propan-2-yl-2-propylpiperazine
CID 64832129
1-[(2,4-difluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine
CID 64833514
5-tert-butyl-2-cyclopropyl-1-[(2-fluorophenyl)methyl]piperazine
CID 64842417
1-[(5-chloro-2-fluorophenyl)methyl]-5-propan-2-yl-2-propylpiperazine
CID 103050699
2-ethyl-1-[(2-methylphenyl)methyl]-5-propan-2-ylpiperazine
CID 64831533
2-tert-butyl-1-(cyclobutylmethyl)-5-propan-2-ylpiperazine
CID 65461068
[1-[(2-methylphenyl)methyl]-5-propan-2-ylpiperazin-2-yl]methanol
CID 82246452
2-tert-butyl-1-(2-ethoxyethyl)-5-propan-2-ylpiperazine
CID 64838851
2-tert-butyl-1-[(2-chlorophenyl)methyl]-5-cyclopropylpiperazine
CID 64862053

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(2-fluorophenyl)methyl]-5-propan-2-ylpiperazine?
The IUPAC name of 2-tert-butyl-1-[(2-fluorophenyl)methyl]-5-propan-2-ylpiperazine (CID 64839634) is 2-tert-butyl-1-[(2-fluorophenyl)methyl]-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-[(2-fluorophenyl)methyl]-5-propan-2-ylpiperazine?
The canonical SMILES for 2-tert-butyl-1-[(2-fluorophenyl)methyl]-5-propan-2-ylpiperazine is CC(C)C1CN(Cc2ccccc2F)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-1-[(2-fluorophenyl)methyl]-5-propan-2-ylpiperazine?
The InChIKey is KCJZTUKJZPZEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-13(2)16-12-21(17(10-20-16)18(3,4)5)11-14-8-6-7-9-15(14)19/h6-9,13,16-17,20H,10-12H2,1-5H3.
What are the key properties of 2-tert-butyl-1-[(2-fluorophenyl)methyl]-5-propan-2-ylpiperazine?
2-tert-butyl-1-[(2-fluorophenyl)methyl]-5-propan-2-ylpiperazine has a molecular weight of 292.44 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[(2-fluorophenyl)methyl]-5-propan-2-ylpiperazine is sourced from PubChem (CID 64839634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).