1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol

C19H24N2O2 — CID 54773385

IUPAC1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol
SMILESOC(COc1ccc(-c2ccccc2)cc1)CN1CCNCC1
InChIInChI=1S/C19H24N2O2/c22-18(14-21-12-10-20-11-13-21)15-23-19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,18,20,22H,10-15H2
InChIKeySFNYIFZRHNHCSK-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.00
Rot. Bonds6

About 1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol

1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol (PubChem CID 54773385) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol
PubChem CID54773385
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol
SMILESOC(COc1ccc(-c2ccccc2)cc1)CN1CCNCC1
InChIInChI=1S/C19H24N2O2/c22-18(14-21-12-10-20-11-13-21)15-23-19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,18,20,22H,10-15H2
InChIKeySFNYIFZRHNHCSK-UHFFFAOYSA-N
XLogP2.00
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 3578916
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 991009
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 2938679
1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-2-ol
CID 65449830
1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 2939361
1-(1,4-diazepan-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 19005868
2-[4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]phenol
CID 27732487
(2S)-1-(4-chlorophenoxy)-3-(1,4-diazepan-1-yl)propan-2-ol
CID 95067055
1-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperidine-4-carboxamide
CID 2520625
1-(4-phenylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 2940158
1-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]-1,4-diazepan-1-yl]propan-1-one
CID 87021862
1-(3,5-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 4914511

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol (CID 54773385) is 1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol is OC(COc1ccc(-c2ccccc2)cc1)CN1CCNCC1.
What is the InChIKey of 1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol?
The InChIKey is SFNYIFZRHNHCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-18(14-21-12-10-20-11-13-21)15-23-19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,18,20,22H,10-15H2.
What are the key properties of 1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol?
1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol has a molecular weight of 312.41 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 54773385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).