2-(4-propan-2-ylpiperazin-1-yl)ethanol

C9H20N2O — CID 4739630

IUPAC2-(4-propan-2-ylpiperazin-1-yl)ethanol
SMILESCC(C)N1CCN(CCO)CC1
InChIInChI=1S/C9H20N2O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h9,12H,3-8H2,1-2H3
InChIKeyKDYNMWFSJAIPSW-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.00
Rot. Bonds3

About 2-(4-propan-2-ylpiperazin-1-yl)ethanol

2-(4-propan-2-ylpiperazin-1-yl)ethanol (PubChem CID 4739630) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperazin-1-yl)ethanol
PubChem CID4739630
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-(4-propan-2-ylpiperazin-1-yl)ethanol
SMILESCC(C)N1CCN(CCO)CC1
InChIInChI=1S/C9H20N2O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h9,12H,3-8H2,1-2H3
InChIKeyKDYNMWFSJAIPSW-UHFFFAOYSA-N
XLogP0.00
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol
CID 22218549
1-(2-bromoethyl)-4-propan-2-ylpiperazine
CID 53415431
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
CID 170586361
3-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]butan-1-ol
CID 178049851
ethane;2-(4-methylpiperazin-1-yl)ethanol;vanadium
CID 176984837
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;[4-(hydroxymethyl)piperazin-1-yl]methanol
CID 69172076
2-[4-[(2S)-6-methylhept-5-en-2-yl]piperazin-1-yl]ethanol
CID 125482763
2-(4-ethylpiperazin-1-yl)ethanol;methane
CID 162265705
1-(7-methyloctyl)-4-propan-2-ylpiperazine
CID 168753861
1-(5-chloropentyl)-4-propan-2-ylpiperazine
CID 61288760
3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanenitrile
CID 63312681

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)ethanol (CID 4739630) is 2-(4-propan-2-ylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(4-propan-2-ylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(4-propan-2-ylpiperazin-1-yl)ethanol is CC(C)N1CCN(CCO)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperazin-1-yl)ethanol?
The InChIKey is KDYNMWFSJAIPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h9,12H,3-8H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylpiperazin-1-yl)ethanol?
2-(4-propan-2-ylpiperazin-1-yl)ethanol has a molecular weight of 172.27 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperazin-1-yl)ethanol is sourced from PubChem (CID 4739630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).