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

C12H27N3O — CID 63608756

IUPAC1-(ethylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol
SMILESCCNCC(O)CN1CCN(C)C(C)(C)C1
InChIInChI=1S/C12H27N3O/c1-5-13-8-11(16)9-15-7-6-14(4)12(2,3)10-15/h11,13,16H,5-10H2,1-4H3
InChIKeyAGPRHDCTANWBOY-UHFFFAOYSA-N
MW229.37 g/mol
LogP-0.02
Rot. Bonds5

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

1-(ethylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol (PubChem CID 63608756) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-(ethylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol
PubChem CID63608756
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name1-(ethylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol
SMILESCCNCC(O)CN1CCN(C)C(C)(C)C1
InChIInChI=1S/C12H27N3O/c1-5-13-8-11(16)9-15-7-6-14(4)12(2,3)10-15/h11,13,16H,5-10H2,1-4H3
InChIKeyAGPRHDCTANWBOY-UHFFFAOYSA-N
XLogP-0.02
TPSA38.74 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 ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-(ethylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol (CID 63608756) is 1-(ethylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(ethylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-(ethylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol is CCNCC(O)CN1CCN(C)C(C)(C)C1.
What is the InChIKey of 1-(ethylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol?
The InChIKey is AGPRHDCTANWBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-5-13-8-11(16)9-15-7-6-14(4)12(2,3)10-15/h11,13,16H,5-10H2,1-4H3.
What are the key properties of 1-(ethylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol?
1-(ethylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol has a molecular weight of 229.37 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 63608756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).