1-amino-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol

C10H23N3O — CID 63608754

IUPAC1-amino-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol
SMILESCN1CCN(CC(O)CN)CC1(C)C
InChIInChI=1S/C10H23N3O/c1-10(2)8-13(5-4-12(10)3)7-9(14)6-11/h9,14H,4-8,11H2,1-3H3
InChIKeyJBHMUIDEKAKRKM-UHFFFAOYSA-N
MW201.31 g/mol
LogP-0.67
Rot. Bonds3

About 1-amino-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol

1-amino-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol (PubChem CID 63608754) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-amino-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol
PubChem CID63608754
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name1-amino-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol
SMILESCN1CCN(CC(O)CN)CC1(C)C
InChIInChI=1S/C10H23N3O/c1-10(2)8-13(5-4-12(10)3)7-9(14)6-11/h9,14H,4-8,11H2,1-3H3
InChIKeyJBHMUIDEKAKRKM-UHFFFAOYSA-N
XLogP-0.67
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-amino-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol (CID 63608754) is 1-amino-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-amino-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol is CN1CCN(CC(O)CN)CC1(C)C.
What is the InChIKey of 1-amino-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol?
The InChIKey is JBHMUIDEKAKRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-10(2)8-13(5-4-12(10)3)7-9(14)6-11/h9,14H,4-8,11H2,1-3H3.
What are the key properties of 1-amino-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol?
1-amino-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol has a molecular weight of 201.31 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 63608754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).