(4-ethylpiperazin-1-yl)methanol;methane

C9H24N2O — CID 161108744

IUPAC(4-ethylpiperazin-1-yl)methanol;methane
SMILESC.C.CCN1CCN(CO)CC1
InChIInChI=1S/C7H16N2O.2CH4/c1-2-8-3-5-9(7-10)6-4-8;;/h10H,2-7H2,1H3;2*1H4
InChIKeyUJKKRLMUUANTPO-UHFFFAOYSA-N
MW176.30 g/mol
LogP0.85
Rot. Bonds2

About (4-ethylpiperazin-1-yl)methanol;methane

(4-ethylpiperazin-1-yl)methanol;methane (PubChem CID 161108744) has the molecular formula C9H24N2O and a molecular weight of 176.30 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)methanol;methane.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)methanol;methane
PubChem CID161108744
Molecular FormulaC9H24N2O
Molecular Weight176.30 g/mol
Exact Mass176.19
IUPAC Name(4-ethylpiperazin-1-yl)methanol;methane
SMILESC.C.CCN1CCN(CO)CC1
InChIInChI=1S/C7H16N2O.2CH4/c1-2-8-3-5-9(7-10)6-4-8;;/h10H,2-7H2,1H3;2*1H4
InChIKeyUJKKRLMUUANTPO-UHFFFAOYSA-N
XLogP0.85
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Hydroxyethyl)-4-methylpiperazine
CID 231184
2-(4-Ethylpiperazin-1-yl)ethan-1-ol
CID 18985154
1,4-Piperazinedimethanol
CID 76822
1-[4-(1-Hydroxyethyl)piperazin-1-yl]ethanol
CID 429219
1-[4-(2-Fluoroethyl)piperazin-1-yl]ethanol
CID 174487098
1-Hydroxyethyl-1,4-dimethyl-piperazinium bromide
CID 154724066
2-[4-(2-Hydroxyethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]ethanol
CID 426445
1-(4-Methylpiperazin-1-yl)propan-1-ol
CID 3019098
Sildenafil Impurity 66
CID 15131530
(4-Ethylpiperazin-1-yl)methanol
CID 15131531
(4-Propylpiperazin-1-yl)methanol
CID 15131532
(4-Butylpiperazin-1-yl)methanol
CID 15131533

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)methanol;methane?
The IUPAC name of (4-ethylpiperazin-1-yl)methanol;methane (CID 161108744) is (4-ethylpiperazin-1-yl)methanol;methane.
What is the SMILES notation for (4-ethylpiperazin-1-yl)methanol;methane?
The canonical SMILES for (4-ethylpiperazin-1-yl)methanol;methane is C.C.CCN1CCN(CO)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)methanol;methane?
The InChIKey is UJKKRLMUUANTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.2CH4/c1-2-8-3-5-9(7-10)6-4-8;;/h10H,2-7H2,1H3;2*1H4.
What are the key properties of (4-ethylpiperazin-1-yl)methanol;methane?
(4-ethylpiperazin-1-yl)methanol;methane has a molecular weight of 176.30 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)methanol;methane is sourced from PubChem (CID 161108744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).