(2R)-1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]propan-2-ol

C11H25N3O — CID 120848866

IUPAC(2R)-1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(CC(C)(C)N)CC1
InChIInChI=1S/C11H25N3O/c1-10(15)8-13-4-6-14(7-5-13)9-11(2,3)12/h10,15H,4-9,12H2,1-3H3/t10-/m1/s1
InChIKeyMXBLYFXVZAJLCG-SNVBAGLBSA-N
MW215.34 g/mol
LogP-0.28
Rot. Bonds4

About (2R)-1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]propan-2-ol

(2R)-1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]propan-2-ol (PubChem CID 120848866) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is (2R)-1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]propan-2-ol
PubChem CID120848866
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name(2R)-1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(CC(C)(C)N)CC1
InChIInChI=1S/C11H25N3O/c1-10(15)8-13-4-6-14(7-5-13)9-11(2,3)12/h10,15H,4-9,12H2,1-3H3/t10-/m1/s1
InChIKeyMXBLYFXVZAJLCG-SNVBAGLBSA-N
XLogP-0.28
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]propan-2-ol
CID 4961557
(2S)-1-[4,7-bis[(2S)-2-hydroxypropyl]-1,4,7-triazonan-1-yl]propan-2-ol
CID 10935575
iron(3+);(2S)-1-[4,7,10-tris[(2S)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol
CID 164850270
1-[10-(2-hydroxypropyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]propan-2-ol
CID 18413085
2-amino-2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-ol
CID 64788004
1-(azacyclododec-1-yl)propan-2-ol
CID 58868254
3-[4-(2-hydroxypropyl)piperazin-1-yl]propane-1,2-diol
CID 139832285
1-[4-(2-aminoethyl)piperazin-1-yl]-2-methylpropan-2-amine
CID 45117280
2-amino-2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propanoic acid
CID 62776938
1-(4-aminopiperidin-1-yl)propan-2-ol
CID 60886845
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]propan-2-ol
CID 65277904
2-[7-(carboxymethyl)-4,10-bis(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 15798973

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]propan-2-ol (CID 120848866) is (2R)-1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]propan-2-ol is C[C@@H](O)CN1CCN(CC(C)(C)N)CC1.
What is the InChIKey of (2R)-1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]propan-2-ol?
The InChIKey is MXBLYFXVZAJLCG-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H25N3O/c1-10(15)8-13-4-6-14(7-5-13)9-11(2,3)12/h10,15H,4-9,12H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]propan-2-ol?
(2R)-1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]propan-2-ol has a molecular weight of 215.34 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 120848866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).