(2R)-2-amino-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride

C12H25Cl2N3O2 — CID 119897523

IUPAC(2R)-2-amino-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESC[C@@H](N)C(=O)N1CCN(CC2CCOC2)CC1.Cl.Cl
InChIInChI=1S/C12H23N3O2.2ClH/c1-10(13)12(16)15-5-3-14(4-6-15)8-11-2-7-17-9-11;;/h10-11H,2-9,13H2,1H3;2*1H/t10-,11?;;/m1../s1
InChIKeyRUZIYQLILGQWNJ-JSEHTPTASA-N
MW314.26 g/mol
LogP0.36
Rot. Bonds3

About (2R)-2-amino-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride

(2R)-2-amino-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride (PubChem CID 119897523) has the molecular formula C12H25Cl2N3O2 and a molecular weight of 314.26 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
PubChem CID119897523
Molecular FormulaC12H25Cl2N3O2
Molecular Weight314.26 g/mol
Exact Mass313.13
IUPAC Name(2R)-2-amino-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESC[C@@H](N)C(=O)N1CCN(CC2CCOC2)CC1.Cl.Cl
InChIInChI=1S/C12H23N3O2.2ClH/c1-10(13)12(16)15-5-3-14(4-6-15)8-11-2-7-17-9-11;;/h10-11H,2-9,13H2,1H3;2*1H/t10-,11?;;/m1../s1
InChIKeyRUZIYQLILGQWNJ-JSEHTPTASA-N
XLogP0.36
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119897543
2-methyl-3-(methylamino)-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119897533
3-amino-2-methyl-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119897518
(2S)-2-amino-4-methyl-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 119886581
2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869581
2-methyl-3-(methylamino)-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119886551
4-(oxolan-3-ylmethyl)piperazine-1-carbodithioic acid
CID 155294676
(2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 119875808
(3-aminocyclohexyl)-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119897515
ethyl 2-[4-(oxolan-3-ylmethyl)piperazin-1-yl]acetate
CID 78881557
(2R)-2-amino-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 156637014
(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119831591

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of (2R)-2-amino-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride (CID 119897523) is (2R)-2-amino-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for (2R)-2-amino-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride is C[C@@H](N)C(=O)N1CCN(CC2CCOC2)CC1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is RUZIYQLILGQWNJ-JSEHTPTASA-N. The full InChI is InChI=1S/C12H23N3O2.2ClH/c1-10(13)12(16)15-5-3-14(4-6-15)8-11-2-7-17-9-11;;/h10-11H,2-9,13H2,1H3;2*1H/t10-,11?;;/m1../s1.
What are the key properties of (2R)-2-amino-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride?
(2R)-2-amino-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 314.26 g/mol, XLogP of 0.36, 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-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 119897523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).