1-[3-(3,4-difluoro-5-methylphenyl)propyl]-4-methylpiperazine

C15H22F2N2 — CID 170863010

IUPAC1-[3-(3,4-difluoro-5-methylphenyl)propyl]-4-methylpiperazine
SMILESCc1cc(CCCN2CCN(C)CC2)cc(F)c1F
InChIInChI=1S/C15H22F2N2/c1-12-10-13(11-14(16)15(12)17)4-3-5-19-8-6-18(2)7-9-19/h10-11H,3-9H2,1-2H3
InChIKeyGHZHDQLIMKDEFU-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.45
Rot. Bonds4

About 1-[3-(3,4-difluoro-5-methylphenyl)propyl]-4-methylpiperazine

1-[3-(3,4-difluoro-5-methylphenyl)propyl]-4-methylpiperazine (PubChem CID 170863010) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-[3-(3,4-difluoro-5-methylphenyl)propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(3,4-difluoro-5-methylphenyl)propyl]-4-methylpiperazine
PubChem CID170863010
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-[3-(3,4-difluoro-5-methylphenyl)propyl]-4-methylpiperazine
SMILESCc1cc(CCCN2CCN(C)CC2)cc(F)c1F
InChIInChI=1S/C15H22F2N2/c1-12-10-13(11-14(16)15(12)17)4-3-5-19-8-6-18(2)7-9-19/h10-11H,3-9H2,1-2H3
InChIKeyGHZHDQLIMKDEFU-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[3-(2,3,4,5-tetrafluorophenyl)propyl]piperazine
CID 170862462
1-[3-(3-fluoro-5-iodophenyl)propyl]-4-methylpiperazine
CID 170863311
1-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpiperazine
CID 136575376
4-[3-(4-methylpiperazin-1-yl)propyl]-2,6-di(propan-2-yl)phenol
CID 170862664
3,4-difluoro-2-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862998
1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine
CID 170862320
1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82116765
1-methyl-4-[3-(3-methyl-4-propoxyphenyl)propyl]piperazine
CID 170863858
1-methyl-4-[3-[2,3,5-trimethyl-6-[2-(2,4,6-trimethylphenyl)ethyl]phenyl]propyl]piperazine
CID 170862633
trifluoro-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]boranuide
CID 170862731
1-[3-(3,5-dimethyl-1H-pyrrol-2-yl)propyl]-4-methylpiperazine
CID 170864210
2-[(4-chlorophenyl)methyl]-7-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]isoindol-1-ol
CID 91336365

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-difluoro-5-methylphenyl)propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(3,4-difluoro-5-methylphenyl)propyl]-4-methylpiperazine (CID 170863010) is 1-[3-(3,4-difluoro-5-methylphenyl)propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(3,4-difluoro-5-methylphenyl)propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(3,4-difluoro-5-methylphenyl)propyl]-4-methylpiperazine is Cc1cc(CCCN2CCN(C)CC2)cc(F)c1F.
What is the InChIKey of 1-[3-(3,4-difluoro-5-methylphenyl)propyl]-4-methylpiperazine?
The InChIKey is GHZHDQLIMKDEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-12-10-13(11-14(16)15(12)17)4-3-5-19-8-6-18(2)7-9-19/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-[3-(3,4-difluoro-5-methylphenyl)propyl]-4-methylpiperazine?
1-[3-(3,4-difluoro-5-methylphenyl)propyl]-4-methylpiperazine has a molecular weight of 268.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-difluoro-5-methylphenyl)propyl]-4-methylpiperazine is sourced from PubChem (CID 170863010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).