1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine

C13H19FN2O — CID 64834581

IUPAC1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine
SMILESCOc1ccc(CN2CCNC(C)C2)cc1F
InChIInChI=1S/C13H19FN2O/c1-10-8-16(6-5-15-10)9-11-3-4-13(17-2)12(14)7-11/h3-4,7,10,15H,5-6,8-9H2,1-2H3
InChIKeyJNUCNZWEKBCQKL-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.63
Rot. Bonds3

About 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine

1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine (PubChem CID 64834581) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine
PubChem CID64834581
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine
SMILESCOc1ccc(CN2CCNC(C)C2)cc1F
InChIInChI=1S/C13H19FN2O/c1-10-8-16(6-5-15-10)9-11-3-4-13(17-2)12(14)7-11/h3-4,7,10,15H,5-6,8-9H2,1-2H3
InChIKeyJNUCNZWEKBCQKL-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(4-methoxy-3-methylphenyl)methyl]-3-methylpiperazine
CID 95450816
3-tert-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]piperazine
CID 64832825
1-[(3-chloro-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 65419171
(3R)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 96937270
(3S)-1-[(3-methoxy-4-methylphenyl)methyl]-3-methylpiperazine
CID 120845778
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylpiperazine
CID 65416136
(3R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 96937266
(3R)-1-[(4-chloro-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 168510109
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-propan-2-yl-1,4-diazepane
CID 64858598
1-[(4-methoxy-3-nitrophenyl)methyl]-3-methylpiperazine;hydrochloride
CID 119924418
4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine
CID 51074764
(3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 86328502

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine (CID 64834581) is 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine is COc1ccc(CN2CCNC(C)C2)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine?
The InChIKey is JNUCNZWEKBCQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10-8-16(6-5-15-10)9-11-3-4-13(17-2)12(14)7-11/h3-4,7,10,15H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine?
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine has a molecular weight of 238.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine is sourced from PubChem (CID 64834581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).