1-phenylmethoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol

C20H26N2O2 — CID 2770808

IUPAC1-phenylmethoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESOC(COCc1ccccc1)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H26N2O2/c23-20(17-24-16-18-7-3-1-4-8-18)15-21-11-13-22(14-12-21)19-9-5-2-6-10-19/h1-10,20,23H,11-17H2
InChIKeyNHBVVFWBZKXRFM-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.39
Rot. Bonds7

About 1-phenylmethoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol

1-phenylmethoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol (PubChem CID 2770808) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-phenylmethoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-phenylmethoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
PubChem CID2770808
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-phenylmethoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESOC(COCc1ccccc1)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H26N2O2/c23-20(17-24-16-18-7-3-1-4-8-18)15-21-11-13-22(14-12-21)19-9-5-2-6-10-19/h1-10,20,23H,11-17H2
InChIKeyNHBVVFWBZKXRFM-UHFFFAOYSA-N
XLogP2.39
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Fluorophenyl)-2-[4-(2-fluorophenyl)piperazino]-1-ethanol
CID 2766998
1-p-Tolyloxy-3-(4-p-tolyl-piperazin-1-yl)-propan-2-ol
CID 260296
1-(Cyclohexyloxy)-3-[4-(4-methylphenyl)-1-piperazinyl]-2-propanol
CID 2931390
1-(Cyclohexyloxy)-3-(4-phenyl-1-piperazinyl)-2-propanol
CID 2933098
1-[2-(3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-4-(4-fluorophenyl)piperazine
CID 9909648
[1-Phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281861
1-Phenyl-2-(4-phenylpiperazino)-1-ethanol
CID 247570
1-Phenoxy-3-(4-p-tolyl-piperazin-1-yl)-propan-2-ol
CID 260288
Diamocaine
CID 31932
1-(3-Methylphenoxy)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
CID 260295
Cambridge id 6259695
CID 2892520
1-(2-Allylphenoxy)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
CID 3237370

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-phenylmethoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol (CID 2770808) is 1-phenylmethoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-phenylmethoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-phenylmethoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol is OC(COCc1ccccc1)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-phenylmethoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The InChIKey is NHBVVFWBZKXRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-20(17-24-16-18-7-3-1-4-8-18)15-21-11-13-22(14-12-21)19-9-5-2-6-10-19/h1-10,20,23H,11-17H2.
What are the key properties of 1-phenylmethoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol?
1-phenylmethoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol has a molecular weight of 326.44 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 2770808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).