2-piperazin-1-ylethanol;N-propan-2-ylpropan-2-amine

C12H29N3O — CID 19917230

IUPAC2-piperazin-1-ylethanol;N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)C.OCCN1CCNCC1
InChIInChI=1S/C6H14N2O.C6H15N/c9-6-5-8-3-1-7-2-4-8;1-5(2)7-6(3)4/h7,9H,1-6H2;5-7H,1-4H3
InChIKeyIJMQYHUMMXISBQ-UHFFFAOYSA-N
MW231.38 g/mol
LogP0.28
Rot. Bonds4

About 2-piperazin-1-ylethanol;N-propan-2-ylpropan-2-amine

2-piperazin-1-ylethanol;N-propan-2-ylpropan-2-amine (PubChem CID 19917230) has the molecular formula C12H29N3O and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-piperazin-1-ylethanol;N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name2-piperazin-1-ylethanol;N-propan-2-ylpropan-2-amine
PubChem CID19917230
Molecular FormulaC12H29N3O
Molecular Weight231.38 g/mol
Exact Mass231.23
IUPAC Name2-piperazin-1-ylethanol;N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)C.OCCN1CCNCC1
InChIInChI=1S/C6H14N2O.C6H15N/c9-6-5-8-3-1-7-2-4-8;1-5(2)7-6(3)4/h7,9H,1-6H2;5-7H,1-4H3
InChIKeyIJMQYHUMMXISBQ-UHFFFAOYSA-N
XLogP0.28
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylethanol;N-propan-2-ylpropan-2-amine?
The IUPAC name of 2-piperazin-1-ylethanol;N-propan-2-ylpropan-2-amine (CID 19917230) is 2-piperazin-1-ylethanol;N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 2-piperazin-1-ylethanol;N-propan-2-ylpropan-2-amine?
The canonical SMILES for 2-piperazin-1-ylethanol;N-propan-2-ylpropan-2-amine is CC(C)NC(C)C.OCCN1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylethanol;N-propan-2-ylpropan-2-amine?
The InChIKey is IJMQYHUMMXISBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.C6H15N/c9-6-5-8-3-1-7-2-4-8;1-5(2)7-6(3)4/h7,9H,1-6H2;5-7H,1-4H3.
What are the key properties of 2-piperazin-1-ylethanol;N-propan-2-ylpropan-2-amine?
2-piperazin-1-ylethanol;N-propan-2-ylpropan-2-amine has a molecular weight of 231.38 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylethanol;N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 19917230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).