1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]-4-propan-2-ylpiperazine

C17H26F2N2O — CID 129149317

IUPAC1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]-4-propan-2-ylpiperazine
SMILESCOCCCc1cc(F)c(N2CCN(C(C)C)CC2)c(F)c1
InChIInChI=1S/C17H26F2N2O/c1-13(2)20-6-8-21(9-7-20)17-15(18)11-14(12-16(17)19)5-4-10-22-3/h11-13H,4-10H2,1-3H3
InChIKeyOOULQYHNYMKBAY-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.07
Rot. Bonds6

About 1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]-4-propan-2-ylpiperazine

1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]-4-propan-2-ylpiperazine (PubChem CID 129149317) has the molecular formula C17H26F2N2O and a molecular weight of 312.40 g/mol. Its IUPAC name is 1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]-4-propan-2-ylpiperazine
PubChem CID129149317
Molecular FormulaC17H26F2N2O
Molecular Weight312.40 g/mol
Exact Mass312.20
IUPAC Name1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]-4-propan-2-ylpiperazine
SMILESCOCCCc1cc(F)c(N2CCN(C(C)C)CC2)c(F)c1
InChIInChI=1S/C17H26F2N2O/c1-13(2)20-6-8-21(9-7-20)17-15(18)11-14(12-16(17)19)5-4-10-22-3/h11-13H,4-10H2,1-3H3
InChIKeyOOULQYHNYMKBAY-UHFFFAOYSA-N
XLogP3.07
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]piperazine
CID 118648269
1-(4-ethyl-2,6-difluorophenyl)-4-propan-2-ylpiperazine
CID 178164768
1-(2,6-difluoro-4-propan-2-ylphenyl)-4-propan-2-ylpiperazine
CID 176931595
1-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-propan-2-ylpiperazine
CID 129149269
3,5-difluoro-N-(2-methoxyethyl)-4-piperazin-1-ylaniline
CID 118648209
1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidine
CID 129149337
1-tert-butyl-4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine
CID 138741639
2-[3,5-difluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine
CID 63785690
[3,5-difluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol
CID 55146978
N-[[3,5-difluoro-4-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 63052451
1-[4-(bromomethyl)-2,6-difluorophenyl]-4-propan-2-ylpiperidine
CID 107085562
1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine
CID 20613804

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]-4-propan-2-ylpiperazine (CID 129149317) is 1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]-4-propan-2-ylpiperazine is COCCCc1cc(F)c(N2CCN(C(C)C)CC2)c(F)c1.
What is the InChIKey of 1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]-4-propan-2-ylpiperazine?
The InChIKey is OOULQYHNYMKBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2O/c1-13(2)20-6-8-21(9-7-20)17-15(18)11-14(12-16(17)19)5-4-10-22-3/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]-4-propan-2-ylpiperazine?
1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]-4-propan-2-ylpiperazine has a molecular weight of 312.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 129149317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).