(3R)-3-piperazin-1-yl-3-pyren-1-ylpropan-1-ol

C23H24N2O — CID 171189386

IUPAC(3R)-3-piperazin-1-yl-3-pyren-1-ylpropan-1-ol
SMILESOCC[C@H](c1ccc2ccc3cccc4ccc1c2c34)N1CCNCC1
InChIInChI=1S/C23H24N2O/c26-15-10-21(25-13-11-24-12-14-25)19-8-6-18-5-4-16-2-1-3-17-7-9-20(19)23(18)22(16)17/h1-9,21,24,26H,10-15H2/t21-/m1/s1
InChIKeyMTKIPYCJRFPHRH-OAQYLSRUSA-N
MW344.46 g/mol
LogP3.91
Rot. Bonds4

About (3R)-3-piperazin-1-yl-3-pyren-1-ylpropan-1-ol

(3R)-3-piperazin-1-yl-3-pyren-1-ylpropan-1-ol (PubChem CID 171189386) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is (3R)-3-piperazin-1-yl-3-pyren-1-ylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-piperazin-1-yl-3-pyren-1-ylpropan-1-ol
PubChem CID171189386
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name(3R)-3-piperazin-1-yl-3-pyren-1-ylpropan-1-ol
SMILESOCC[C@H](c1ccc2ccc3cccc4ccc1c2c34)N1CCNCC1
InChIInChI=1S/C23H24N2O/c26-15-10-21(25-13-11-24-12-14-25)19-8-6-18-5-4-16-2-1-3-17-7-9-20(19)23(18)22(16)17/h1-9,21,24,26H,10-15H2/t21-/m1/s1
InChIKeyMTKIPYCJRFPHRH-OAQYLSRUSA-N
XLogP3.91
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-2-fluoro-1-pyren-1-ylethyl]piperazine
CID 171182211
1-[(1S)-1-pyren-1-ylhexyl]piperazine
CID 171309801
1-[(1R)-1-pyren-1-ylpropyl]piperazine;dihydrochloride
CID 171297122
1-[(1S)-3-methyl-1-pyren-1-ylbut-3-enyl]piperazine;dihydrochloride
CID 171284535
(3S)-3-piperazin-1-yl-3-pyren-1-ylpropanenitrile;dihydrochloride
CID 171306470
3-[(1S)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,2-diol
CID 171189463
(2S)-2-naphthalen-1-yl-2-piperazin-1-ylethanol
CID 171183143
1-[(S)-cyclopentyl(pyren-1-yl)methyl]piperazine;dihydrochloride
CID 171284515
4-[(1S)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,3-diol
CID 171189489
(3S)-3-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171174180
(3R)-3-piperazin-1-yl-3-(2,3,4-trifluorophenyl)propan-1-ol
CID 171173703
(3S)-3-(3-fluoro-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171174280

Frequently Asked Questions

What is the IUPAC name of (3R)-3-piperazin-1-yl-3-pyren-1-ylpropan-1-ol?
The IUPAC name of (3R)-3-piperazin-1-yl-3-pyren-1-ylpropan-1-ol (CID 171189386) is (3R)-3-piperazin-1-yl-3-pyren-1-ylpropan-1-ol.
What is the SMILES notation for (3R)-3-piperazin-1-yl-3-pyren-1-ylpropan-1-ol?
The canonical SMILES for (3R)-3-piperazin-1-yl-3-pyren-1-ylpropan-1-ol is OCC[C@H](c1ccc2ccc3cccc4ccc1c2c34)N1CCNCC1.
What is the InChIKey of (3R)-3-piperazin-1-yl-3-pyren-1-ylpropan-1-ol?
The InChIKey is MTKIPYCJRFPHRH-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H24N2O/c26-15-10-21(25-13-11-24-12-14-25)19-8-6-18-5-4-16-2-1-3-17-7-9-20(19)23(18)22(16)17/h1-9,21,24,26H,10-15H2/t21-/m1/s1.
What are the key properties of (3R)-3-piperazin-1-yl-3-pyren-1-ylpropan-1-ol?
(3R)-3-piperazin-1-yl-3-pyren-1-ylpropan-1-ol has a molecular weight of 344.46 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-piperazin-1-yl-3-pyren-1-ylpropan-1-ol is sourced from PubChem (CID 171189386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).