1-[4-(difluoromethoxy)phenyl]-3-methylpiperazine

C12H16F2N2O — CID 64925028

IUPAC1-[4-(difluoromethoxy)phenyl]-3-methylpiperazine
SMILESCC1CN(c2ccc(OC(F)F)cc2)CCN1
InChIInChI=1S/C12H16F2N2O/c1-9-8-16(7-6-15-9)10-2-4-11(5-3-10)17-12(13)14/h2-5,9,12,15H,6-8H2,1H3
InChIKeyNOGIJTDMALOFQU-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.09
Rot. Bonds3

About 1-[4-(difluoromethoxy)phenyl]-3-methylpiperazine

1-[4-(difluoromethoxy)phenyl]-3-methylpiperazine (PubChem CID 64925028) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-3-methylpiperazine
PubChem CID64925028
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name1-[4-(difluoromethoxy)phenyl]-3-methylpiperazine
SMILESCC1CN(c2ccc(OC(F)F)cc2)CCN1
InChIInChI=1S/C12H16F2N2O/c1-9-8-16(7-6-15-9)10-2-4-11(5-3-10)17-12(13)14/h2-5,9,12,15H,6-8H2,1H3
InChIKeyNOGIJTDMALOFQU-UHFFFAOYSA-N
XLogP2.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-3-(2-methylpropyl)-1,4-diazepane
CID 64942750
4-(3-methylpiperazin-1-yl)aniline
CID 23287543
(3R)-3-methyl-1-(4-phenylphenyl)piperazine
CID 58223220
3-methyl-1-naphthalen-2-ylpiperazine
CID 55104948
(3S)-3-methyl-1-(4-prop-1-en-2-ylphenyl)piperazine
CID 139425716
4-(3-methylpiperazin-1-yl)benzenesulfonic acid
CID 22147067
2-[4-(difluoromethoxy)phenyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79915947
1,1,1,3,3,3-hexafluoro-2-[4-[(3R)-3-methylpiperazin-1-yl]phenyl]propan-2-ol
CID 86670311
3-methyl-1-(4-phenoxyphenyl)-1,4-diazepane
CID 64941712
1-[4-(difluoromethoxy)phenyl]-2-methyl-5-propan-2-ylpiperazine
CID 64938447
1-(4-fluoro-3-methylphenyl)-3-methylpiperazine
CID 62669735
(3R)-1-(4-cyclohexylphenyl)-3-methylpiperazine
CID 11543442

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-methylpiperazine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-methylpiperazine (CID 64925028) is 1-[4-(difluoromethoxy)phenyl]-3-methylpiperazine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-3-methylpiperazine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-3-methylpiperazine is CC1CN(c2ccc(OC(F)F)cc2)CCN1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-3-methylpiperazine?
The InChIKey is NOGIJTDMALOFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-9-8-16(7-6-15-9)10-2-4-11(5-3-10)17-12(13)14/h2-5,9,12,15H,6-8H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-3-methylpiperazine?
1-[4-(difluoromethoxy)phenyl]-3-methylpiperazine has a molecular weight of 242.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-3-methylpiperazine is sourced from PubChem (CID 64925028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).