1-piperidin-1-yl-3-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenoxy]propan-2-ol

C23H33N5O2 — CID 45183300

IUPAC1-piperidin-1-yl-3-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenoxy]propan-2-ol
SMILESOC(COc1ccc(CN2CCN(c3cnccn3)CC2)cc1)CN1CCCCC1
InChIInChI=1S/C23H33N5O2/c29-21(18-26-10-2-1-3-11-26)19-30-22-6-4-20(5-7-22)17-27-12-14-28(15-13-27)23-16-24-8-9-25-23/h4-9,16,21,29H,1-3,10-15,17-19H2
InChIKeySDFIAQOWDGMOPE-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.02
Rot. Bonds8

About 1-piperidin-1-yl-3-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenoxy]propan-2-ol

1-piperidin-1-yl-3-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenoxy]propan-2-ol (PubChem CID 45183300) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-piperidin-1-yl-3-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenoxy]propan-2-ol
PubChem CID45183300
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC Name1-piperidin-1-yl-3-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenoxy]propan-2-ol
SMILESOC(COc1ccc(CN2CCN(c3cnccn3)CC2)cc1)CN1CCCCC1
InChIInChI=1S/C23H33N5O2/c29-21(18-26-10-2-1-3-11-26)19-30-22-6-4-20(5-7-22)17-27-12-14-28(15-13-27)23-16-24-8-9-25-23/h4-9,16,21,29H,1-3,10-15,17-19H2
InChIKeySDFIAQOWDGMOPE-UHFFFAOYSA-N
XLogP2.02
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-piperidin-1-yl-3-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenoxy]propan-2-ol with MolForge

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Related Compounds

1-(4-ethylphenoxy)-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol
CID 110891465
1-[4-(azepan-1-ylmethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 172660340
4-[(2S)-2-hydroxy-3-(4-pyrazin-2-ylpiperazin-1-yl)propoxy]benzonitrile
CID 93251377
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-[4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 71960280
1-(4-chlorophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3747847
1-(4-ethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol chloride
CID 53351867
1-piperidin-1-yl-3-(4-propylphenoxy)propan-2-ol chloride
CID 21237668
1-[4-(aminomethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 43253320
(2R)-1-(azepan-1-yl)-3-[3-(azetidin-1-ylmethyl)phenoxy]propan-2-ol
CID 97274515
1-(4-methoxyphenoxy)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3388778
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-(4-methoxyphenoxy)propan-2-ol
CID 55466655
1-(4-chlorophenoxy)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3859453

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenoxy]propan-2-ol?
The IUPAC name of 1-piperidin-1-yl-3-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenoxy]propan-2-ol (CID 45183300) is 1-piperidin-1-yl-3-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-piperidin-1-yl-3-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-piperidin-1-yl-3-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenoxy]propan-2-ol is OC(COc1ccc(CN2CCN(c3cnccn3)CC2)cc1)CN1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-3-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenoxy]propan-2-ol?
The InChIKey is SDFIAQOWDGMOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c29-21(18-26-10-2-1-3-11-26)19-30-22-6-4-20(5-7-22)17-27-12-14-28(15-13-27)23-16-24-8-9-25-23/h4-9,16,21,29H,1-3,10-15,17-19H2.
What are the key properties of 1-piperidin-1-yl-3-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenoxy]propan-2-ol?
1-piperidin-1-yl-3-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenoxy]propan-2-ol has a molecular weight of 411.55 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenoxy]propan-2-ol is sourced from PubChem (CID 45183300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).