(3-fluoro-4-methoxyphenyl)-(1-methylpiperazin-2-yl)methanamine

C13H20FN3O — CID 116941250

IUPAC(3-fluoro-4-methoxyphenyl)-(1-methylpiperazin-2-yl)methanamine
SMILESCOc1ccc(C(N)C2CNCCN2C)cc1F
InChIInChI=1S/C13H20FN3O/c1-17-6-5-16-8-11(17)13(15)9-3-4-12(18-2)10(14)7-9/h3-4,7,11,13,16H,5-6,8,15H2,1-2H3
InChIKeyMVPYQUCDHZMWJA-UHFFFAOYSA-N
MW253.32 g/mol
LogP0.74
Rot. Bonds3

About (3-fluoro-4-methoxyphenyl)-(1-methylpiperazin-2-yl)methanamine

(3-fluoro-4-methoxyphenyl)-(1-methylpiperazin-2-yl)methanamine (PubChem CID 116941250) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(1-methylpiperazin-2-yl)methanamine.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(1-methylpiperazin-2-yl)methanamine
PubChem CID116941250
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name(3-fluoro-4-methoxyphenyl)-(1-methylpiperazin-2-yl)methanamine
SMILESCOc1ccc(C(N)C2CNCCN2C)cc1F
InChIInChI=1S/C13H20FN3O/c1-17-6-5-16-8-11(17)13(15)9-3-4-12(18-2)10(14)7-9/h3-4,7,11,13,16H,5-6,8,15H2,1-2H3
InChIKeyMVPYQUCDHZMWJA-UHFFFAOYSA-N
XLogP0.74
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941246
(2,5-dimethoxyphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941249
(3-methylphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941309
1-(3-fluoro-4-methoxyphenyl)-2-piperazin-1-ylpropan-1-amine
CID 116946740
(1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanamine
CID 116941283
(R)-(3-fluoro-4-methoxyphenyl)-[(2S)-pyrrolidin-2-yl]methanamine
CID 95446450
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171168811
1-[(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182335
1-(3-fluoro-4-methoxyphenyl)-2-morpholin-2-ylethanamine
CID 116941576
(3-fluoro-4-methoxyphenyl)-(oxan-4-yl)methanamine
CID 62906702
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171168816
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171275028

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(1-methylpiperazin-2-yl)methanamine?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(1-methylpiperazin-2-yl)methanamine (CID 116941250) is (3-fluoro-4-methoxyphenyl)-(1-methylpiperazin-2-yl)methanamine.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(1-methylpiperazin-2-yl)methanamine?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(1-methylpiperazin-2-yl)methanamine is COc1ccc(C(N)C2CNCCN2C)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(1-methylpiperazin-2-yl)methanamine?
The InChIKey is MVPYQUCDHZMWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-17-6-5-16-8-11(17)13(15)9-3-4-12(18-2)10(14)7-9/h3-4,7,11,13,16H,5-6,8,15H2,1-2H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(1-methylpiperazin-2-yl)methanamine?
(3-fluoro-4-methoxyphenyl)-(1-methylpiperazin-2-yl)methanamine has a molecular weight of 253.32 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(1-methylpiperazin-2-yl)methanamine is sourced from PubChem (CID 116941250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).