1-[3-(4,4-difluoropiperidin-1-yl)phenyl]-4-methylpiperazine

C16H23F2N3 — CID 163230338

IUPAC1-[3-(4,4-difluoropiperidin-1-yl)phenyl]-4-methylpiperazine
SMILESCN1CCN(c2cccc(N3CCC(F)(F)CC3)c2)CC1
InChIInChI=1S/C16H23F2N3/c1-19-9-11-21(12-10-19)15-4-2-3-14(13-15)20-7-5-16(17,18)6-8-20/h2-4,13H,5-12H2,1H3
InChIKeyIASJWDAYWAVVTQ-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.67
Rot. Bonds2

About 1-[3-(4,4-difluoropiperidin-1-yl)phenyl]-4-methylpiperazine

1-[3-(4,4-difluoropiperidin-1-yl)phenyl]-4-methylpiperazine (PubChem CID 163230338) has the molecular formula C16H23F2N3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[3-(4,4-difluoropiperidin-1-yl)phenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(4,4-difluoropiperidin-1-yl)phenyl]-4-methylpiperazine
PubChem CID163230338
Molecular FormulaC16H23F2N3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-[3-(4,4-difluoropiperidin-1-yl)phenyl]-4-methylpiperazine
SMILESCN1CCN(c2cccc(N3CCC(F)(F)CC3)c2)CC1
InChIInChI=1S/C16H23F2N3/c1-19-9-11-21(12-10-19)15-4-2-3-14(13-15)20-7-5-16(17,18)6-8-20/h2-4,13H,5-12H2,1H3
InChIKeyIASJWDAYWAVVTQ-UHFFFAOYSA-N
XLogP2.67
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-difluoro-1-(3-methoxyphenyl)piperidine
CID 117007784
1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol
CID 117368545
1-(3-ethenylphenyl)-4-methylpiperazine
CID 123546085
2,4-dimethyl-1-[3-(4-methylpiperazin-1-yl)phenyl]piperazine
CID 175508761
1-methyl-4-(3-methylphenyl)-1,4-diazepane
CID 118420862
1-(3-isocyanatophenyl)-4-methylpiperazine
CID 156634839
4,4-difluoro-1-(4-methylphenyl)piperidine;ethane
CID 145061539
1-(3,4-dichlorophenyl)-4,4-difluoropiperidine
CID 117007805
1-(3-chlorophenyl)-4-methyl-1,4-diazepane
CID 141138557
1-[3-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine
CID 174707727
1,3-dimethoxybenzene;ethane;1-methyl-4-phenylpiperazine
CID 171522133
1-methyl-4-(3-nitrophenyl)piperazine;dihydrochloride
CID 77068306

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,4-difluoropiperidin-1-yl)phenyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(4,4-difluoropiperidin-1-yl)phenyl]-4-methylpiperazine (CID 163230338) is 1-[3-(4,4-difluoropiperidin-1-yl)phenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(4,4-difluoropiperidin-1-yl)phenyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(4,4-difluoropiperidin-1-yl)phenyl]-4-methylpiperazine is CN1CCN(c2cccc(N3CCC(F)(F)CC3)c2)CC1.
What is the InChIKey of 1-[3-(4,4-difluoropiperidin-1-yl)phenyl]-4-methylpiperazine?
The InChIKey is IASJWDAYWAVVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3/c1-19-9-11-21(12-10-19)15-4-2-3-14(13-15)20-7-5-16(17,18)6-8-20/h2-4,13H,5-12H2,1H3.
What are the key properties of 1-[3-(4,4-difluoropiperidin-1-yl)phenyl]-4-methylpiperazine?
1-[3-(4,4-difluoropiperidin-1-yl)phenyl]-4-methylpiperazine has a molecular weight of 295.38 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,4-difluoropiperidin-1-yl)phenyl]-4-methylpiperazine is sourced from PubChem (CID 163230338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).