1-[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

C12H25N3O2 — CID 82023470

IUPAC1-[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(CC(O)CN)CC1
InChIInChI=1S/C12H25N3O2/c1-12(2,3)11(17)15-6-4-14(5-7-15)9-10(16)8-13/h10,16H,4-9,13H2,1-3H3
InChIKeyHSXWKHOCJAMWKD-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.50
Rot. Bonds3

About 1-[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

1-[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 82023470) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID82023470
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name1-[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(CC(O)CN)CC1
InChIInChI=1S/C12H25N3O2/c1-12(2,3)11(17)15-6-4-14(5-7-15)9-10(16)8-13/h10,16H,4-9,13H2,1-3H3
InChIKeyHSXWKHOCJAMWKD-UHFFFAOYSA-N
XLogP-0.50
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 71783035
1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 55219660
2-[4-(3-amino-2-hydroxypropyl)-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;gadolinium
CID 85360091
3-amino-2,2-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one
CID 55116740
1-[4-[2-hydroxy-2-(4-methylphenyl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 111476546
[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-cyclohexylmethanone
CID 82023468
1-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110897851
tert-butyl 4-(4-amino-2-hydroxybutyl)piperazine-1-carboxylate
CID 82276947
(2S)-1-amino-3-(azonan-1-yl)propan-2-ol
CID 131048167
1-amino-3-(azonan-1-yl)propan-2-ol
CID 127001298
3-amino-2,2,3-trimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
CID 65270005
1-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119281311

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 82023470) is 1-[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCN(CC(O)CN)CC1.
What is the InChIKey of 1-[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is HSXWKHOCJAMWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-12(2,3)11(17)15-6-4-14(5-7-15)9-10(16)8-13/h10,16H,4-9,13H2,1-3H3.
What are the key properties of 1-[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 243.35 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 82023470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).