1-(4-phenylnaphthalen-1-yl)oxy-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-2-ol

C25H27N5O2 — CID 176505165

IUPAC1-(4-phenylnaphthalen-1-yl)oxy-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-2-ol
SMILESOC(COc1ccc(-c2ccccc2)c2ccccc12)CN1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C25H27N5O2/c31-20(16-29-12-14-30(15-13-29)25-26-18-27-28-25)17-32-24-11-10-21(19-6-2-1-3-7-19)22-8-4-5-9-23(22)24/h1-11,18,20,31H,12-17H2,(H,26,27,28)
InChIKeyCDCUVNNGFNGZGL-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.19
Rot. Bonds7

About 1-(4-phenylnaphthalen-1-yl)oxy-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-2-ol

1-(4-phenylnaphthalen-1-yl)oxy-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-2-ol (PubChem CID 176505165) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 1-(4-phenylnaphthalen-1-yl)oxy-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-phenylnaphthalen-1-yl)oxy-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-2-ol
PubChem CID176505165
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name1-(4-phenylnaphthalen-1-yl)oxy-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-2-ol
SMILESOC(COc1ccc(-c2ccccc2)c2ccccc12)CN1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C25H27N5O2/c31-20(16-29-12-14-30(15-13-29)25-26-18-27-28-25)17-32-24-11-10-21(19-6-2-1-3-7-19)22-8-4-5-9-23(22)24/h1-11,18,20,31H,12-17H2,(H,26,27,28)
InChIKeyCDCUVNNGFNGZGL-UHFFFAOYSA-N
XLogP3.19
TPSA77.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[2-hydroxy-3-[4-(3-hydroxypropyl)piperazin-1-yl]propoxy]naphthalen-1-yl]phenol
CID 176506893
1-[4-(1-methylpyrazol-4-yl)naphthalen-2-yl]oxy-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-2-ol
CID 176503769
methyl 4-[2-hydroxy-3-(4-pyridin-4-ylnaphthalen-1-yl)oxypropyl]piperazine-1-carboxylate
CID 176505870
(2S)-1-(4-chloronaphthalen-1-yl)oxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 8669464
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-phenylphenoxy)propan-2-ol
CID 43842332
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-phenylmethoxynaphthalen-1-yl)oxypropan-2-ol
CID 14966307
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
(2S)-1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 1485766
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 14556459
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
CID 45283774
1-(4-phenylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 2940158

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylnaphthalen-1-yl)oxy-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(4-phenylnaphthalen-1-yl)oxy-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-2-ol (CID 176505165) is 1-(4-phenylnaphthalen-1-yl)oxy-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(4-phenylnaphthalen-1-yl)oxy-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(4-phenylnaphthalen-1-yl)oxy-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-2-ol is OC(COc1ccc(-c2ccccc2)c2ccccc12)CN1CCN(c2ncn[nH]2)CC1.
What is the InChIKey of 1-(4-phenylnaphthalen-1-yl)oxy-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is CDCUVNNGFNGZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c31-20(16-29-12-14-30(15-13-29)25-26-18-27-28-25)17-32-24-11-10-21(19-6-2-1-3-7-19)22-8-4-5-9-23(22)24/h1-11,18,20,31H,12-17H2,(H,26,27,28).
What are the key properties of 1-(4-phenylnaphthalen-1-yl)oxy-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-2-ol?
1-(4-phenylnaphthalen-1-yl)oxy-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 429.52 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylnaphthalen-1-yl)oxy-3-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 176505165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).