2-amino-2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-ol

C12H27N3O — CID 64788004

IUPAC2-amino-2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-ol
SMILESCC(C)CN1CCN(CC(C)(N)CO)CC1
InChIInChI=1S/C12H27N3O/c1-11(2)8-14-4-6-15(7-5-14)9-12(3,13)10-16/h11,16H,4-10,13H2,1-3H3
InChIKeyCRIYNDPFZXQLOC-UHFFFAOYSA-N
MW229.37 g/mol
LogP-0.03
Rot. Bonds5

About 2-amino-2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-ol

2-amino-2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-ol (PubChem CID 64788004) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-amino-2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-ol
PubChem CID64788004
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-amino-2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-ol
SMILESCC(C)CN1CCN(CC(C)(N)CO)CC1
InChIInChI=1S/C12H27N3O/c1-11(2)8-14-4-6-15(7-5-14)9-12(3,13)10-16/h11,16H,4-10,13H2,1-3H3
InChIKeyCRIYNDPFZXQLOC-UHFFFAOYSA-N
XLogP-0.03
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methylpropyl)piperazin-1-yl]methanol
CID 58575664
2-amino-2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propanoic acid
CID 62776938
2-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pentan-1-ol
CID 62777293
2-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 64828005
(2R)-1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 120848866
ethane;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 168904282
2-amino-2-methyl-3-(4-propylpiperidin-1-yl)propan-1-ol
CID 64786452
3-amino-2,2,3-trimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
CID 65270005
2-amino-2-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-ol
CID 64790408
2-amino-3-(4-tert-butylazepan-1-yl)-2-methylpropan-1-ol
CID 64826444
N-ethyl-2,2-dimethyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62777636
ethyl 2-methyl-2-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propanoate
CID 62778005

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 2-amino-2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-ol (CID 64788004) is 2-amino-2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 2-amino-2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-ol is CC(C)CN1CCN(CC(C)(N)CO)CC1.
What is the InChIKey of 2-amino-2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-ol?
The InChIKey is CRIYNDPFZXQLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-11(2)8-14-4-6-15(7-5-14)9-12(3,13)10-16/h11,16H,4-10,13H2,1-3H3.
What are the key properties of 2-amino-2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-ol?
2-amino-2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-ol has a molecular weight of 229.37 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 64788004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).