2,4,4-trimethyl-5-piperazin-1-ylpentan-2-ol

C12H26N2O — CID 142390418

IUPAC2,4,4-trimethyl-5-piperazin-1-ylpentan-2-ol
SMILESCC(C)(O)CC(C)(C)CN1CCNCC1
InChIInChI=1S/C12H26N2O/c1-11(2,9-12(3,4)15)10-14-7-5-13-6-8-14/h13,15H,5-10H2,1-4H3
InChIKeyJPPNJQLWNWDQGX-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.08
Rot. Bonds4

About 2,4,4-trimethyl-5-piperazin-1-ylpentan-2-ol

2,4,4-trimethyl-5-piperazin-1-ylpentan-2-ol (PubChem CID 142390418) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2,4,4-trimethyl-5-piperazin-1-ylpentan-2-ol.

Molecular Properties

Compound Name2,4,4-trimethyl-5-piperazin-1-ylpentan-2-ol
PubChem CID142390418
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2,4,4-trimethyl-5-piperazin-1-ylpentan-2-ol
SMILESCC(C)(O)CC(C)(C)CN1CCNCC1
InChIInChI=1S/C12H26N2O/c1-11(2,9-12(3,4)15)10-14-7-5-13-6-8-14/h13,15H,5-10H2,1-4H3
InChIKeyJPPNJQLWNWDQGX-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-5-piperazin-1-ylpentan-2-ol?
The IUPAC name of 2,4,4-trimethyl-5-piperazin-1-ylpentan-2-ol (CID 142390418) is 2,4,4-trimethyl-5-piperazin-1-ylpentan-2-ol.
What is the SMILES notation for 2,4,4-trimethyl-5-piperazin-1-ylpentan-2-ol?
The canonical SMILES for 2,4,4-trimethyl-5-piperazin-1-ylpentan-2-ol is CC(C)(O)CC(C)(C)CN1CCNCC1.
What is the InChIKey of 2,4,4-trimethyl-5-piperazin-1-ylpentan-2-ol?
The InChIKey is JPPNJQLWNWDQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(2,9-12(3,4)15)10-14-7-5-13-6-8-14/h13,15H,5-10H2,1-4H3.
What are the key properties of 2,4,4-trimethyl-5-piperazin-1-ylpentan-2-ol?
2,4,4-trimethyl-5-piperazin-1-ylpentan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-5-piperazin-1-ylpentan-2-ol is sourced from PubChem (CID 142390418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).