1-[(2,3-difluorophenyl)methyl]-4-propan-2-ylpiperazine

C14H20F2N2 — CID 170657560

IUPAC1-[(2,3-difluorophenyl)methyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C14H20F2N2/c1-11(2)18-8-6-17(7-9-18)10-12-4-3-5-13(15)14(12)16/h3-5,11H,6-10H2,1-2H3
InChIKeyHEHGGPUAUZCJSB-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.49
Rot. Bonds3

About 1-[(2,3-difluorophenyl)methyl]-4-propan-2-ylpiperazine

1-[(2,3-difluorophenyl)methyl]-4-propan-2-ylpiperazine (PubChem CID 170657560) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-4-propan-2-ylpiperazine
PubChem CID170657560
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-[(2,3-difluorophenyl)methyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C14H20F2N2/c1-11(2)18-8-6-17(7-9-18)10-12-4-3-5-13(15)14(12)16/h3-5,11H,6-10H2,1-2H3
InChIKeyHEHGGPUAUZCJSB-UHFFFAOYSA-N
XLogP2.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,3-difluorophenyl)methyl]azetidine
CID 126989798
N-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 63669754
1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 54923675
1-[(2,3-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 75470128
1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine
CID 126752862
3-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline
CID 64770609
1-[(2,3-difluorophenyl)methyl]-4-pyrrolidin-1-ylsulfonylpiperazine
CID 47023387
1-methyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]indazole
CID 134379965
1-[(2,3-difluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 54923818
7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327058
1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922702
1-[(2,3-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124386

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-4-propan-2-ylpiperazine (CID 170657560) is 1-[(2,3-difluorophenyl)methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-4-propan-2-ylpiperazine is CC(C)N1CCN(Cc2cccc(F)c2F)CC1.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-4-propan-2-ylpiperazine?
The InChIKey is HEHGGPUAUZCJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-11(2)18-8-6-17(7-9-18)10-12-4-3-5-13(15)14(12)16/h3-5,11H,6-10H2,1-2H3.
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-4-propan-2-ylpiperazine?
1-[(2,3-difluorophenyl)methyl]-4-propan-2-ylpiperazine has a molecular weight of 254.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 170657560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).