3,4-difluoro-2-[3-(4-methylpiperazin-1-yl)propyl]phenol

C14H20F2N2O — CID 170862998

IUPAC3,4-difluoro-2-[3-(4-methylpiperazin-1-yl)propyl]phenol
SMILESCN1CCN(CCCc2c(O)ccc(F)c2F)CC1
InChIInChI=1S/C14H20F2N2O/c1-17-7-9-18(10-8-17)6-2-3-11-13(19)5-4-12(15)14(11)16/h4-5,19H,2-3,6-10H2,1H3
InChIKeyYTEHGEPYDNVMAC-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.85
Rot. Bonds4

About 3,4-difluoro-2-[3-(4-methylpiperazin-1-yl)propyl]phenol

3,4-difluoro-2-[3-(4-methylpiperazin-1-yl)propyl]phenol (PubChem CID 170862998) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 3,4-difluoro-2-[3-(4-methylpiperazin-1-yl)propyl]phenol.

Molecular Properties

Compound Name3,4-difluoro-2-[3-(4-methylpiperazin-1-yl)propyl]phenol
PubChem CID170862998
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name3,4-difluoro-2-[3-(4-methylpiperazin-1-yl)propyl]phenol
SMILESCN1CCN(CCCc2c(O)ccc(F)c2F)CC1
InChIInChI=1S/C14H20F2N2O/c1-17-7-9-18(10-8-17)6-2-3-11-13(19)5-4-12(15)14(11)16/h4-5,19H,2-3,6-10H2,1H3
InChIKeyYTEHGEPYDNVMAC-UHFFFAOYSA-N
XLogP1.85
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3,4-difluoro-5-methylphenyl)propyl]-4-methylpiperazine
CID 170863010
1-methyl-4-[3-(2,3,4,5-tetrafluorophenyl)propyl]piperazine
CID 170862462
4-bromo-2-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862276
1-[3-[2-(4-chlorophenoxy)-6-fluorophenyl]propyl]-4-methylpiperazine
CID 170862989
4-tert-butyl-2-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862690
4-methyl-2,6-bis[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862381
1-[2-(4-methylpiperazin-1-yl)ethyl]naphthalen-2-ol
CID 175567947
2,4,6-tribromo-3-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862881
4-[3-(4-methylpiperazin-1-yl)propyl]-2,6-di(propan-2-yl)phenol
CID 170862664
1-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpiperazine
CID 136575376
3,5-difluoro-4-(3-morpholin-4-ylpropyl)phenol
CID 170869741
1-[3-(3-fluoro-2-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862945

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-[3-(4-methylpiperazin-1-yl)propyl]phenol?
The IUPAC name of 3,4-difluoro-2-[3-(4-methylpiperazin-1-yl)propyl]phenol (CID 170862998) is 3,4-difluoro-2-[3-(4-methylpiperazin-1-yl)propyl]phenol.
What is the SMILES notation for 3,4-difluoro-2-[3-(4-methylpiperazin-1-yl)propyl]phenol?
The canonical SMILES for 3,4-difluoro-2-[3-(4-methylpiperazin-1-yl)propyl]phenol is CN1CCN(CCCc2c(O)ccc(F)c2F)CC1.
What is the InChIKey of 3,4-difluoro-2-[3-(4-methylpiperazin-1-yl)propyl]phenol?
The InChIKey is YTEHGEPYDNVMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-17-7-9-18(10-8-17)6-2-3-11-13(19)5-4-12(15)14(11)16/h4-5,19H,2-3,6-10H2,1H3.
What are the key properties of 3,4-difluoro-2-[3-(4-methylpiperazin-1-yl)propyl]phenol?
3,4-difluoro-2-[3-(4-methylpiperazin-1-yl)propyl]phenol has a molecular weight of 270.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-[3-(4-methylpiperazin-1-yl)propyl]phenol is sourced from PubChem (CID 170862998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).