5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylpiperazine

C17H24F2N2 — CID 64861649

IUPAC5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C2CC2)CN1Cc1cc(F)ccc1F
InChIInChI=1S/C17H24F2N2/c1-11(2)17-8-20-16(12-3-4-12)10-21(17)9-13-7-14(18)5-6-15(13)19/h5-7,11-12,16-17,20H,3-4,8-10H2,1-2H3
InChIKeyABAQJAKSNZMNCD-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.17
Rot. Bonds4

About 5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylpiperazine

5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylpiperazine (PubChem CID 64861649) has the molecular formula C17H24F2N2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylpiperazine
PubChem CID64861649
Molecular FormulaC17H24F2N2
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C2CC2)CN1Cc1cc(F)ccc1F
InChIInChI=1S/C17H24F2N2/c1-11(2)17-8-20-16(12-3-4-12)10-21(17)9-13-7-14(18)5-6-15(13)19/h5-7,11-12,16-17,20H,3-4,8-10H2,1-2H3
InChIKeyABAQJAKSNZMNCD-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazine
CID 105375744
1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine
CID 64859726
1-[(2,5-difluorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine
CID 64839165
5-cyclopropyl-1-[(2-methoxyphenyl)methyl]-2-propan-2-ylpiperazine
CID 64861840
5-cyclopropyl-1-[2-(2-fluorophenyl)ethyl]-2-propan-2-ylpiperazine
CID 64932196
5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 64859705
1-[(5-chloro-2-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 103050775
5-cyclopropyl-2-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 105375742
3-cyclopropyl-1-[(2,5-difluorophenyl)methyl]piperazine
CID 64833211
1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 102620651
1-[(5-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-propylpiperazine
CID 103050837
1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine
CID 64861648

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylpiperazine?
The IUPAC name of 5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylpiperazine (CID 64861649) is 5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylpiperazine is CC(C)C1CNC(C2CC2)CN1Cc1cc(F)ccc1F.
What is the InChIKey of 5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylpiperazine?
The InChIKey is ABAQJAKSNZMNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2/c1-11(2)17-8-20-16(12-3-4-12)10-21(17)9-13-7-14(18)5-6-15(13)19/h5-7,11-12,16-17,20H,3-4,8-10H2,1-2H3.
What are the key properties of 5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylpiperazine?
5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylpiperazine has a molecular weight of 294.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 64861649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).