5-tert-butyl-2-cyclopropyl-1-[(2-fluorophenyl)methyl]piperazine

C18H27FN2 — CID 64842417

IUPAC5-tert-butyl-2-cyclopropyl-1-[(2-fluorophenyl)methyl]piperazine
SMILESCC(C)(C)C1CN(Cc2ccccc2F)C(C2CC2)CN1
InChIInChI=1S/C18H27FN2/c1-18(2,3)17-12-21(16(10-20-17)13-8-9-13)11-14-6-4-5-7-15(14)19/h4-7,13,16-17,20H,8-12H2,1-3H3
InChIKeyUCKFBVKBPFIEGO-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.42
Rot. Bonds3

About 5-tert-butyl-2-cyclopropyl-1-[(2-fluorophenyl)methyl]piperazine

5-tert-butyl-2-cyclopropyl-1-[(2-fluorophenyl)methyl]piperazine (PubChem CID 64842417) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 5-tert-butyl-2-cyclopropyl-1-[(2-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-cyclopropyl-1-[(2-fluorophenyl)methyl]piperazine
PubChem CID64842417
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name5-tert-butyl-2-cyclopropyl-1-[(2-fluorophenyl)methyl]piperazine
SMILESCC(C)(C)C1CN(Cc2ccccc2F)C(C2CC2)CN1
InChIInChI=1S/C18H27FN2/c1-18(2,3)17-12-21(16(10-20-17)13-8-9-13)11-14-6-4-5-7-15(14)19/h4-7,13,16-17,20H,8-12H2,1-3H3
InChIKeyUCKFBVKBPFIEGO-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-1-[(2-fluorophenyl)methyl]-2-propan-2-ylpiperazine
CID 64843383
2-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-5-methylpiperazine
CID 64844702
5-tert-butyl-1-[(2-chlorophenyl)methyl]-2-methylpiperazine
CID 64842975
2-tert-butyl-1-[(2-fluorophenyl)methyl]-5-propan-2-ylpiperazine
CID 64839634
5-tert-butyl-1-(cyclopentylmethyl)-2-cyclopropylpiperazine
CID 64841267
1-[(2-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine
CID 64860320
5-tert-butyl-1-[(4-chloro-2-fluorophenyl)methyl]-2-ethylpiperazine
CID 114860447
5-tert-butyl-2-cyclopropyl-1-octylpiperazine
CID 64841844
5-tert-butyl-1-[(2-methylphenyl)methyl]-2-propylpiperazine
CID 64841050
1-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
CID 102862470
5-tert-butyl-2-cyclopropyl-1-(2-ethoxyethyl)piperazine
CID 64841456
5-tert-butyl-2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64841649

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-cyclopropyl-1-[(2-fluorophenyl)methyl]piperazine?
The IUPAC name of 5-tert-butyl-2-cyclopropyl-1-[(2-fluorophenyl)methyl]piperazine (CID 64842417) is 5-tert-butyl-2-cyclopropyl-1-[(2-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 5-tert-butyl-2-cyclopropyl-1-[(2-fluorophenyl)methyl]piperazine?
The canonical SMILES for 5-tert-butyl-2-cyclopropyl-1-[(2-fluorophenyl)methyl]piperazine is CC(C)(C)C1CN(Cc2ccccc2F)C(C2CC2)CN1.
What is the InChIKey of 5-tert-butyl-2-cyclopropyl-1-[(2-fluorophenyl)methyl]piperazine?
The InChIKey is UCKFBVKBPFIEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-18(2,3)17-12-21(16(10-20-17)13-8-9-13)11-14-6-4-5-7-15(14)19/h4-7,13,16-17,20H,8-12H2,1-3H3.
What are the key properties of 5-tert-butyl-2-cyclopropyl-1-[(2-fluorophenyl)methyl]piperazine?
5-tert-butyl-2-cyclopropyl-1-[(2-fluorophenyl)methyl]piperazine has a molecular weight of 290.43 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-cyclopropyl-1-[(2-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 64842417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).