5-cyclopropyl-1-[(2-fluorophenyl)methyl]-2,5-dimethylpiperazine

C16H23FN2 — CID 64875570

IUPAC5-cyclopropyl-1-[(2-fluorophenyl)methyl]-2,5-dimethylpiperazine
SMILESCC1CNC(C)(C2CC2)CN1Cc1ccccc1F
InChIInChI=1S/C16H23FN2/c1-12-9-18-16(2,14-7-8-14)11-19(12)10-13-5-3-4-6-15(13)17/h3-6,12,14,18H,7-11H2,1-2H3
InChIKeyBRLYNNTUIVJEPS-UHFFFAOYSA-N
MW262.37 g/mol
LogP2.79
Rot. Bonds3

About 5-cyclopropyl-1-[(2-fluorophenyl)methyl]-2,5-dimethylpiperazine

5-cyclopropyl-1-[(2-fluorophenyl)methyl]-2,5-dimethylpiperazine (PubChem CID 64875570) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(2-fluorophenyl)methyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-[(2-fluorophenyl)methyl]-2,5-dimethylpiperazine
PubChem CID64875570
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name5-cyclopropyl-1-[(2-fluorophenyl)methyl]-2,5-dimethylpiperazine
SMILESCC1CNC(C)(C2CC2)CN1Cc1ccccc1F
InChIInChI=1S/C16H23FN2/c1-12-9-18-16(2,14-7-8-14)11-19(12)10-13-5-3-4-6-15(13)17/h3-6,12,14,18H,7-11H2,1-2H3
InChIKeyBRLYNNTUIVJEPS-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-[(2-fluorophenyl)methyl]-3,7-dimethyl-1,4-diazepane
CID 64870220
5-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64877110
1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2,5-dimethylpiperazine
CID 64877865
2-[(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)methyl]pyrimidine
CID 64876136
9-[(2,3-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 64877544
5-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-2,5-dimethylpiperazine
CID 64945697
1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 64875773
5-cyclopropyl-2,5-dimethyl-1-(4-phenylbutyl)piperazine
CID 114334950
4-[(2,3-difluorophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64876835
1-[(2-bromophenyl)methyl]-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine
CID 64877485
1-[(3-chloro-2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine
CID 102862477
5-cyclopropyl-2,5-dimethyl-1-phenylpiperazine
CID 64932614

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(2-fluorophenyl)methyl]-2,5-dimethylpiperazine?
The IUPAC name of 5-cyclopropyl-1-[(2-fluorophenyl)methyl]-2,5-dimethylpiperazine (CID 64875570) is 5-cyclopropyl-1-[(2-fluorophenyl)methyl]-2,5-dimethylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-[(2-fluorophenyl)methyl]-2,5-dimethylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-[(2-fluorophenyl)methyl]-2,5-dimethylpiperazine is CC1CNC(C)(C2CC2)CN1Cc1ccccc1F.
What is the InChIKey of 5-cyclopropyl-1-[(2-fluorophenyl)methyl]-2,5-dimethylpiperazine?
The InChIKey is BRLYNNTUIVJEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-12-9-18-16(2,14-7-8-14)11-19(12)10-13-5-3-4-6-15(13)17/h3-6,12,14,18H,7-11H2,1-2H3.
What are the key properties of 5-cyclopropyl-1-[(2-fluorophenyl)methyl]-2,5-dimethylpiperazine?
5-cyclopropyl-1-[(2-fluorophenyl)methyl]-2,5-dimethylpiperazine has a molecular weight of 262.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[(2-fluorophenyl)methyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 64875570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).