1-(4,4-difluorobutan-2-yl)-3-methylpiperazine

C9H18F2N2 — CID 130653889

IUPAC1-(4,4-difluorobutan-2-yl)-3-methylpiperazine
SMILESCC1CN(C(C)CC(F)F)CCN1
InChIInChI=1S/C9H18F2N2/c1-7-6-13(4-3-12-7)8(2)5-9(10)11/h7-9,12H,3-6H2,1-2H3
InChIKeyCPTIELNFRRDQNK-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.32
Rot. Bonds3

About 1-(4,4-difluorobutan-2-yl)-3-methylpiperazine

1-(4,4-difluorobutan-2-yl)-3-methylpiperazine (PubChem CID 130653889) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-(4,4-difluorobutan-2-yl)-3-methylpiperazine.

Molecular Properties

Compound Name1-(4,4-difluorobutan-2-yl)-3-methylpiperazine
PubChem CID130653889
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name1-(4,4-difluorobutan-2-yl)-3-methylpiperazine
SMILESCC1CN(C(C)CC(F)F)CCN1
InChIInChI=1S/C9H18F2N2/c1-7-6-13(4-3-12-7)8(2)5-9(10)11/h7-9,12H,3-6H2,1-2H3
InChIKeyCPTIELNFRRDQNK-UHFFFAOYSA-N
XLogP1.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxypropan-2-yl)-3-methylpiperazine
CID 64953136
1-(3-methylpiperazin-1-yl)ethanamine
CID 115102156
methyl 3-[(3R)-3-methylpiperazin-1-yl]butanoate
CID 104975207
1-(1-cyclopropylethyl)-3-methylpiperazine
CID 64926432
1-[1-(3-fluorophenyl)propan-2-yl]-3-methylpiperazine
CID 114832354
(3S)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-methylpiperazine
CID 96801118
1-[bis[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine
CID 170615246
1-(1-cyclopropylpropyl)-3-methylpiperazine
CID 65417230
2-[(3S)-3-methylpiperazin-1-yl]propanamide
CID 104976739
1-[1-(3,4-dimethylphenyl)ethyl]-3-methylpiperazine
CID 65418520
1-[1-(4-chlorophenyl)-3-methylbutyl]-3-methylpiperazine;ethane
CID 176717104
2-[(3R)-3-methylpiperazin-1-yl]butanamide
CID 104975725

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorobutan-2-yl)-3-methylpiperazine?
The IUPAC name of 1-(4,4-difluorobutan-2-yl)-3-methylpiperazine (CID 130653889) is 1-(4,4-difluorobutan-2-yl)-3-methylpiperazine.
What is the SMILES notation for 1-(4,4-difluorobutan-2-yl)-3-methylpiperazine?
The canonical SMILES for 1-(4,4-difluorobutan-2-yl)-3-methylpiperazine is CC1CN(C(C)CC(F)F)CCN1.
What is the InChIKey of 1-(4,4-difluorobutan-2-yl)-3-methylpiperazine?
The InChIKey is CPTIELNFRRDQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-7-6-13(4-3-12-7)8(2)5-9(10)11/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 1-(4,4-difluorobutan-2-yl)-3-methylpiperazine?
1-(4,4-difluorobutan-2-yl)-3-methylpiperazine has a molecular weight of 192.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorobutan-2-yl)-3-methylpiperazine is sourced from PubChem (CID 130653889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).