2-[4-(4-cyclopentylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol

C16H26N4O — CID 70707856

IUPAC2-[4-(4-cyclopentylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol
SMILESCN1CCN(c2nccc(C3CCCC3)n2)CC1CCO
InChIInChI=1S/C16H26N4O/c1-19-9-10-20(12-14(19)7-11-21)16-17-8-6-15(18-16)13-4-2-3-5-13/h6,8,13-14,21H,2-5,7,9-12H2,1H3
InChIKeyGNDOIOJMZRZDBZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.64
Rot. Bonds4

About 2-[4-(4-cyclopentylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol

2-[4-(4-cyclopentylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol (PubChem CID 70707856) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[4-(4-cyclopentylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-cyclopentylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol
PubChem CID70707856
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[4-(4-cyclopentylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol
SMILESCN1CCN(c2nccc(C3CCCC3)n2)CC1CCO
InChIInChI=1S/C16H26N4O/c1-19-9-10-20(12-14(19)7-11-21)16-17-8-6-15(18-16)13-4-2-3-5-13/h6,8,13-14,21H,2-5,7,9-12H2,1H3
InChIKeyGNDOIOJMZRZDBZ-UHFFFAOYSA-N
XLogP1.64
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopentyl-2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 70733172
2-[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]-N-ethylacetamide
CID 56869498
7-(4-cyclopentylpyrimidin-2-yl)-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol
CID 156607297
[(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol
CID 70768702
2-[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]ethanol
CID 107229189
2-[(2R)-1-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperazin-2-yl]ethanol
CID 95873941
[3-(4-cyclopentylpyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-11-yl]methanol;dihydrochloride
CID 154901230
2-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 115657972
4-(1-methylpiperidin-3-yl)-2-piperazin-1-ylpyrimidine
CID 116900754
N-[1-(4-cyclopentylpyrimidin-2-yl)-4-cyclopropylpyrrolidin-3-yl]-2-hydroxyacetamide
CID 156603239
[1-(4-cyclohexylpyrimidin-2-yl)piperidin-2-yl]methanamine
CID 103279135
7-(4-cyclopentylpyrimidin-2-yl)-1-oxa-7-azaspiro[3.5]nonane
CID 56863787

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclopentylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(4-cyclopentylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol (CID 70707856) is 2-[4-(4-cyclopentylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(4-cyclopentylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(4-cyclopentylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol is CN1CCN(c2nccc(C3CCCC3)n2)CC1CCO.
What is the InChIKey of 2-[4-(4-cyclopentylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol?
The InChIKey is GNDOIOJMZRZDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-19-9-10-20(12-14(19)7-11-21)16-17-8-6-15(18-16)13-4-2-3-5-13/h6,8,13-14,21H,2-5,7,9-12H2,1H3.
What are the key properties of 2-[4-(4-cyclopentylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol?
2-[4-(4-cyclopentylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol has a molecular weight of 290.41 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclopentylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol is sourced from PubChem (CID 70707856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).