(2R)-3-(3-ethyl-5-piperazin-1-ylphenoxy)-2-fluoropropan-1-amine

C15H24FN3O — CID 118527367

IUPAC(2R)-3-(3-ethyl-5-piperazin-1-ylphenoxy)-2-fluoropropan-1-amine
SMILESCCc1cc(OC[C@H](F)CN)cc(N2CCNCC2)c1
InChIInChI=1S/C15H24FN3O/c1-2-12-7-14(19-5-3-18-4-6-19)9-15(8-12)20-11-13(16)10-17/h7-9,13,18H,2-6,10-11,17H2,1H3/t13-/m1/s1
InChIKeyNOPDQBYNEQDYQC-CYBMUJFWSA-N
MW281.38 g/mol
LogP1.33
Rot. Bonds6

About (2R)-3-(3-ethyl-5-piperazin-1-ylphenoxy)-2-fluoropropan-1-amine

(2R)-3-(3-ethyl-5-piperazin-1-ylphenoxy)-2-fluoropropan-1-amine (PubChem CID 118527367) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is (2R)-3-(3-ethyl-5-piperazin-1-ylphenoxy)-2-fluoropropan-1-amine.

Molecular Properties

Compound Name(2R)-3-(3-ethyl-5-piperazin-1-ylphenoxy)-2-fluoropropan-1-amine
PubChem CID118527367
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name(2R)-3-(3-ethyl-5-piperazin-1-ylphenoxy)-2-fluoropropan-1-amine
SMILESCCc1cc(OC[C@H](F)CN)cc(N2CCNCC2)c1
InChIInChI=1S/C15H24FN3O/c1-2-12-7-14(19-5-3-18-4-6-19)9-15(8-12)20-11-13(16)10-17/h7-9,13,18H,2-6,10-11,17H2,1H3/t13-/m1/s1
InChIKeyNOPDQBYNEQDYQC-CYBMUJFWSA-N
XLogP1.33
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)piperazine
CID 81430
AAE-M-PBP-amine
CID 24763223
1-(3-(Benzyloxy)-2-methylphenyl)piperazine
CID 25263303
1-(2-(Phenoxymethyl)phenyl)piperazine
CID 45483466
1-(2-((3-Fluorophenoxy)methyl)phenyl)piperazine
CID 45483467
1-(2,5-Dimethoxy-4-methylphenyl)piperazine
CID 13599004
1-{3-[(3-Fluorophenyl)methoxy]-2-methylphenyl}piperazine
CID 25263304
1-{3-[(2-Fluorophenyl)methoxy]-2-methylphenyl}piperazine
CID 25263307
1-{3-[(3,4-Difluorophenyl)methoxy]-2-methylphenyl}piperazine
CID 25263308
1-{2-methyl-3-[(1S)-1-phenylethoxy]phenyl}piperazine
CID 25263311
1-{2-methyl-3-[(1R)-1-phenylethoxy]phenyl}piperazine
CID 25263312
7-(3-(Piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
CID 10267432

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-ethyl-5-piperazin-1-ylphenoxy)-2-fluoropropan-1-amine?
The IUPAC name of (2R)-3-(3-ethyl-5-piperazin-1-ylphenoxy)-2-fluoropropan-1-amine (CID 118527367) is (2R)-3-(3-ethyl-5-piperazin-1-ylphenoxy)-2-fluoropropan-1-amine.
What is the SMILES notation for (2R)-3-(3-ethyl-5-piperazin-1-ylphenoxy)-2-fluoropropan-1-amine?
The canonical SMILES for (2R)-3-(3-ethyl-5-piperazin-1-ylphenoxy)-2-fluoropropan-1-amine is CCc1cc(OC[C@H](F)CN)cc(N2CCNCC2)c1.
What is the InChIKey of (2R)-3-(3-ethyl-5-piperazin-1-ylphenoxy)-2-fluoropropan-1-amine?
The InChIKey is NOPDQBYNEQDYQC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-2-12-7-14(19-5-3-18-4-6-19)9-15(8-12)20-11-13(16)10-17/h7-9,13,18H,2-6,10-11,17H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-3-(3-ethyl-5-piperazin-1-ylphenoxy)-2-fluoropropan-1-amine?
(2R)-3-(3-ethyl-5-piperazin-1-ylphenoxy)-2-fluoropropan-1-amine has a molecular weight of 281.38 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3-ethyl-5-piperazin-1-ylphenoxy)-2-fluoropropan-1-amine is sourced from PubChem (CID 118527367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).