(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

C14H21N3O2 — CID 15549623

IUPAC(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)[C@@H](C)N)CC1
InChIInChI=1S/C14H21N3O2/c1-11(15)14(18)17-9-7-16(8-10-17)12-5-3-4-6-13(12)19-2/h3-6,11H,7-10,15H2,1-2H3/t11-/m1/s1
InChIKeyIRFUJYNBZUDODR-LLVKDONJSA-N
MW263.34 g/mol
LogP0.69
Rot. Bonds3

About (2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 15549623) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID15549623
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)[C@@H](C)N)CC1
InChIInChI=1S/C14H21N3O2/c1-11(15)14(18)17-9-7-16(8-10-17)12-5-3-4-6-13(12)19-2/h3-6,11H,7-10,15H2,1-2H3/t11-/m1/s1
InChIKeyIRFUJYNBZUDODR-LLVKDONJSA-N
XLogP0.69
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120502403
(2S)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 22691105
(2R)-2-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119888914
3-amino-2-methoxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 106111168
2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119826529
(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
CID 28933878
2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120796728
(2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827006
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 17383685
ethyl 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108530741
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 110413880

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 15549623) is (2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is COc1ccccc1N1CCN(C(=O)[C@@H](C)N)CC1.
What is the InChIKey of (2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is IRFUJYNBZUDODR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11(15)14(18)17-9-7-16(8-10-17)12-5-3-4-6-13(12)19-2/h3-6,11H,7-10,15H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 263.34 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 15549623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).