1-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]ethanol

C16H21N5O — CID 22328845

IUPAC1-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCC(O)c1nccc(N2CCN(Cc3ccccn3)CC2)n1
InChIInChI=1S/C16H21N5O/c1-13(22)16-18-7-5-15(19-16)21-10-8-20(9-11-21)12-14-4-2-3-6-17-14/h2-7,13,22H,8-12H2,1H3
InChIKeyPQUBSRVELZPUNG-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.25
Rot. Bonds4

About 1-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]ethanol

1-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]ethanol (PubChem CID 22328845) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]ethanol
PubChem CID22328845
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCC(O)c1nccc(N2CCN(Cc3ccccn3)CC2)n1
InChIInChI=1S/C16H21N5O/c1-13(22)16-18-7-5-15(19-16)21-10-8-20(9-11-21)12-14-4-2-3-6-17-14/h2-7,13,22H,8-12H2,1H3
InChIKeyPQUBSRVELZPUNG-UHFFFAOYSA-N
XLogP1.25
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 90916352
1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol
CID 141230440
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134032862
[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-2-pyridinyl]methanol
CID 131914452
5-amino-4-methyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one
CID 82013925
1-(2-methylprop-2-enyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134055422
3-methyl-2-phenyl-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine
CID 67983035
5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine
CID 133349095
4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]phenol
CID 135482228
N-phenyl-N-propan-2-yl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55462200
1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 171700809

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of 1-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]ethanol (CID 22328845) is 1-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for 1-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for 1-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]ethanol is CC(O)c1nccc(N2CCN(Cc3ccccn3)CC2)n1.
What is the InChIKey of 1-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The InChIKey is PQUBSRVELZPUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-13(22)16-18-7-5-15(19-16)21-10-8-20(9-11-21)12-14-4-2-3-6-17-14/h2-7,13,22H,8-12H2,1H3.
What are the key properties of 1-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
1-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]ethanol has a molecular weight of 299.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 22328845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).