1-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperazine

C14H21FN2O2 — CID 117424714

IUPAC1-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperazine
SMILESCOCc1c(F)ccc(CN2CCNCC2)c1OC
InChIInChI=1S/C14H21FN2O2/c1-18-10-12-13(15)4-3-11(14(12)19-2)9-17-7-5-16-6-8-17/h3-4,16H,5-10H2,1-2H3
InChIKeyHNRIZUDUEADMBJ-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.39
Rot. Bonds5

About 1-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperazine

1-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperazine (PubChem CID 117424714) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperazine
PubChem CID117424714
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name1-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperazine
SMILESCOCc1c(F)ccc(CN2CCNCC2)c1OC
InChIInChI=1S/C14H21FN2O2/c1-18-10-12-13(15)4-3-11(14(12)19-2)9-17-7-5-16-6-8-17/h3-4,16H,5-10H2,1-2H3
InChIKeyHNRIZUDUEADMBJ-UHFFFAOYSA-N
XLogP1.39
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-difluoro-2-methoxyphenyl)methyl]piperazine
CID 115006374
6-fluoro-2-methoxy-3-(piperazin-1-ylmethyl)phenol
CID 117353436
1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 82509697
1-[(4-bromo-3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 117488144
1-[(2-methoxy-3,4-dimethylphenyl)methyl]piperazine
CID 59161326
1-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 117384414
1-[[3-(difluoromethyl)-2-methoxyphenyl]methyl]piperazine
CID 117394079
2-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine
CID 117422077
1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine
CID 117457867
4-methoxy-1-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117408497
1-[(3-bromo-4-fluoro-2-methylphenyl)methyl]piperazine
CID 84814024
O-[2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117330362

Frequently Asked Questions

What is the IUPAC name of 1-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperazine (CID 117424714) is 1-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperazine is COCc1c(F)ccc(CN2CCNCC2)c1OC.
What is the InChIKey of 1-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperazine?
The InChIKey is HNRIZUDUEADMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-18-10-12-13(15)4-3-11(14(12)19-2)9-17-7-5-16-6-8-17/h3-4,16H,5-10H2,1-2H3.
What are the key properties of 1-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperazine?
1-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperazine has a molecular weight of 268.33 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 117424714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).