2-[4-(2-methylpropyl)piperazin-1-yl]ethanol

C10H22N2O — CID 4739636

IUPAC2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
SMILESCC(C)CN1CCN(CCO)CC1
InChIInChI=1S/C10H22N2O/c1-10(2)9-12-5-3-11(4-6-12)7-8-13/h10,13H,3-9H2,1-2H3
InChIKeyRLNYZCCAKAPCFX-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.25
Rot. Bonds4

About 2-[4-(2-methylpropyl)piperazin-1-yl]ethanol

2-[4-(2-methylpropyl)piperazin-1-yl]ethanol (PubChem CID 4739636) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
PubChem CID4739636
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
SMILESCC(C)CN1CCN(CCO)CC1
InChIInChI=1S/C10H22N2O/c1-10(2)9-12-5-3-11(4-6-12)7-8-13/h10,13H,3-9H2,1-2H3
InChIKeyRLNYZCCAKAPCFX-UHFFFAOYSA-N
XLogP0.25
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(2-methylpropyl)piperazin-1-yl]ethanol (CID 4739636) is 2-[4-(2-methylpropyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-methylpropyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-methylpropyl)piperazin-1-yl]ethanol is CC(C)CN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(2-methylpropyl)piperazin-1-yl]ethanol?
The InChIKey is RLNYZCCAKAPCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-10(2)9-12-5-3-11(4-6-12)7-8-13/h10,13H,3-9H2,1-2H3.
What are the key properties of 2-[4-(2-methylpropyl)piperazin-1-yl]ethanol?
2-[4-(2-methylpropyl)piperazin-1-yl]ethanol has a molecular weight of 186.30 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 4739636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).