(2R)-2-fluoro-3-(3-methyl-5-piperazin-1-ylphenoxy)propan-1-amine

C14H22FN3O — CID 134446964

IUPAC(2R)-2-fluoro-3-(3-methyl-5-piperazin-1-ylphenoxy)propan-1-amine
SMILESCc1cc(OC[C@H](F)CN)cc(N2CCNCC2)c1
InChIInChI=1S/C14H22FN3O/c1-11-6-13(18-4-2-17-3-5-18)8-14(7-11)19-10-12(15)9-16/h6-8,12,17H,2-5,9-10,16H2,1H3/t12-/m1/s1
InChIKeyDNTKNEPLPFWMRS-GFCCVEGCSA-N
MW267.35 g/mol
LogP1.08
Rot. Bonds5

About (2R)-2-fluoro-3-(3-methyl-5-piperazin-1-ylphenoxy)propan-1-amine

(2R)-2-fluoro-3-(3-methyl-5-piperazin-1-ylphenoxy)propan-1-amine (PubChem CID 134446964) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is (2R)-2-fluoro-3-(3-methyl-5-piperazin-1-ylphenoxy)propan-1-amine.

Molecular Properties

Compound Name(2R)-2-fluoro-3-(3-methyl-5-piperazin-1-ylphenoxy)propan-1-amine
PubChem CID134446964
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name(2R)-2-fluoro-3-(3-methyl-5-piperazin-1-ylphenoxy)propan-1-amine
SMILESCc1cc(OC[C@H](F)CN)cc(N2CCNCC2)c1
InChIInChI=1S/C14H22FN3O/c1-11-6-13(18-4-2-17-3-5-18)8-14(7-11)19-10-12(15)9-16/h6-8,12,17H,2-5,9-10,16H2,1H3/t12-/m1/s1
InChIKeyDNTKNEPLPFWMRS-GFCCVEGCSA-N
XLogP1.08
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-3-(3-methyl-5-piperazin-1-ylphenoxy)propan-1-amine?
The IUPAC name of (2R)-2-fluoro-3-(3-methyl-5-piperazin-1-ylphenoxy)propan-1-amine (CID 134446964) is (2R)-2-fluoro-3-(3-methyl-5-piperazin-1-ylphenoxy)propan-1-amine.
What is the SMILES notation for (2R)-2-fluoro-3-(3-methyl-5-piperazin-1-ylphenoxy)propan-1-amine?
The canonical SMILES for (2R)-2-fluoro-3-(3-methyl-5-piperazin-1-ylphenoxy)propan-1-amine is Cc1cc(OC[C@H](F)CN)cc(N2CCNCC2)c1.
What is the InChIKey of (2R)-2-fluoro-3-(3-methyl-5-piperazin-1-ylphenoxy)propan-1-amine?
The InChIKey is DNTKNEPLPFWMRS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-11-6-13(18-4-2-17-3-5-18)8-14(7-11)19-10-12(15)9-16/h6-8,12,17H,2-5,9-10,16H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-2-fluoro-3-(3-methyl-5-piperazin-1-ylphenoxy)propan-1-amine?
(2R)-2-fluoro-3-(3-methyl-5-piperazin-1-ylphenoxy)propan-1-amine has a molecular weight of 267.35 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-3-(3-methyl-5-piperazin-1-ylphenoxy)propan-1-amine is sourced from PubChem (CID 134446964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).