2-(1-methylpyrazol-4-yl)-2-piperazin-1-ylethanol

C10H18N4O — CID 61055312

IUPAC2-(1-methylpyrazol-4-yl)-2-piperazin-1-ylethanol
SMILESCn1cc(C(CO)N2CCNCC2)cn1
InChIInChI=1S/C10H18N4O/c1-13-7-9(6-12-13)10(8-15)14-4-2-11-3-5-14/h6-7,10-11,15H,2-5,8H2,1H3
InChIKeyUDDDDJXVPUBHSV-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.64
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)-2-piperazin-1-ylethanol

2-(1-methylpyrazol-4-yl)-2-piperazin-1-ylethanol (PubChem CID 61055312) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-2-piperazin-1-ylethanol
PubChem CID61055312
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-(1-methylpyrazol-4-yl)-2-piperazin-1-ylethanol
SMILESCn1cc(C(CO)N2CCNCC2)cn1
InChIInChI=1S/C10H18N4O/c1-13-7-9(6-12-13)10(8-15)14-4-2-11-3-5-14/h6-7,10-11,15H,2-5,8H2,1H3
InChIKeyUDDDDJXVPUBHSV-UHFFFAOYSA-N
XLogP-0.64
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol
CID 93470965
2-(1-methylpyrazol-4-yl)-1-piperazin-1-ylbutan-1-one
CID 82510773
2-(4-fluorophenyl)-2-piperazin-1-ylethanol
CID 11972041
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201
(2S)-2-(3,5-dibromophenyl)-2-piperazin-1-ylethanol
CID 171183163
(2S)-2-(3,4-dimethylphenyl)-2-piperazin-1-ylethanol
CID 171182918
(2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylethanol
CID 93471010
(2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183399
2-(1,4-diazepan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 54892267
(2S)-2-(3,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171173593
2-(1,4-diazepan-1-yl)-2-(1H-pyrrol-3-yl)ethanol
CID 82283979
(2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183352

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-2-piperazin-1-ylethanol?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-2-piperazin-1-ylethanol (CID 61055312) is 2-(1-methylpyrazol-4-yl)-2-piperazin-1-ylethanol.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-2-piperazin-1-ylethanol?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-2-piperazin-1-ylethanol is Cn1cc(C(CO)N2CCNCC2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-2-piperazin-1-ylethanol?
The InChIKey is UDDDDJXVPUBHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-13-7-9(6-12-13)10(8-15)14-4-2-11-3-5-14/h6-7,10-11,15H,2-5,8H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-2-piperazin-1-ylethanol?
2-(1-methylpyrazol-4-yl)-2-piperazin-1-ylethanol has a molecular weight of 210.28 g/mol, XLogP of -0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 61055312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).