3-fluoro-2-methoxy-5-(piperazin-1-ylmethyl)phenol

C12H17FN2O2 — CID 117353440

IUPAC3-fluoro-2-methoxy-5-(piperazin-1-ylmethyl)phenol
SMILESCOc1c(O)cc(CN2CCNCC2)cc1F
InChIInChI=1S/C12H17FN2O2/c1-17-12-10(13)6-9(7-11(12)16)8-15-4-2-14-3-5-15/h6-7,14,16H,2-5,8H2,1H3
InChIKeyXTVHQVNZYLKPKU-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.95
Rot. Bonds3

About 3-fluoro-2-methoxy-5-(piperazin-1-ylmethyl)phenol

3-fluoro-2-methoxy-5-(piperazin-1-ylmethyl)phenol (PubChem CID 117353440) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-fluoro-2-methoxy-5-(piperazin-1-ylmethyl)phenol.

Molecular Properties

Compound Name3-fluoro-2-methoxy-5-(piperazin-1-ylmethyl)phenol
PubChem CID117353440
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name3-fluoro-2-methoxy-5-(piperazin-1-ylmethyl)phenol
SMILESCOc1c(O)cc(CN2CCNCC2)cc1F
InChIInChI=1S/C12H17FN2O2/c1-17-12-10(13)6-9(7-11(12)16)8-15-4-2-14-3-5-15/h6-7,14,16H,2-5,8H2,1H3
InChIKeyXTVHQVNZYLKPKU-UHFFFAOYSA-N
XLogP0.95
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-methoxy-5-(piperazin-1-ylmethyl)benzoic acid
CID 117424318
1-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 117384414
1-[(3-fluoro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 83842778
6-fluoro-2-methoxy-3-(piperazin-1-ylmethyl)phenol
CID 117353436
1-[(3,4-difluoro-2-methoxyphenyl)methyl]piperazine
CID 115006374
1-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine
CID 117424695
1-[(2,6-dimethoxy-4-pyridinyl)methyl]piperazine
CID 84700154
1-[(4-ethyl-3-fluorophenyl)methyl]piperazine
CID 122519320
3-fluoro-2-methyl-5-(piperazin-1-ylmethyl)aniline
CID 82509599
1-[(4-methoxy-3-methyl-5-propan-2-ylphenyl)methyl]piperazine
CID 117411213
1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 82509697
7-fluoro-1,3-dimethyl-5-(piperazin-1-ylmethyl)indole
CID 117407896

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methoxy-5-(piperazin-1-ylmethyl)phenol?
The IUPAC name of 3-fluoro-2-methoxy-5-(piperazin-1-ylmethyl)phenol (CID 117353440) is 3-fluoro-2-methoxy-5-(piperazin-1-ylmethyl)phenol.
What is the SMILES notation for 3-fluoro-2-methoxy-5-(piperazin-1-ylmethyl)phenol?
The canonical SMILES for 3-fluoro-2-methoxy-5-(piperazin-1-ylmethyl)phenol is COc1c(O)cc(CN2CCNCC2)cc1F.
What is the InChIKey of 3-fluoro-2-methoxy-5-(piperazin-1-ylmethyl)phenol?
The InChIKey is XTVHQVNZYLKPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-17-12-10(13)6-9(7-11(12)16)8-15-4-2-14-3-5-15/h6-7,14,16H,2-5,8H2,1H3.
What are the key properties of 3-fluoro-2-methoxy-5-(piperazin-1-ylmethyl)phenol?
3-fluoro-2-methoxy-5-(piperazin-1-ylmethyl)phenol has a molecular weight of 240.28 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methoxy-5-(piperazin-1-ylmethyl)phenol is sourced from PubChem (CID 117353440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).