1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride

C24H29ClN2O3 — CID 6603044

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
SMILESCOc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1.Cl
InChIInChI=1S/C24H28N2O3.ClH/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23;/h2-12,20,27H,13-18H2,1H3;1H
InChIKeyVQAAEWMEVIOHTJ-UHFFFAOYSA-N
MW428.96 g/mol
LogP3.83
Rot. Bonds7

About 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride

1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride (PubChem CID 6603044) has the molecular formula C24H29ClN2O3 and a molecular weight of 428.96 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
PubChem CID6603044
Molecular FormulaC24H29ClN2O3
Molecular Weight428.96 g/mol
Exact Mass428.19
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
SMILESCOc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1.Cl
InChIInChI=1S/C24H28N2O3.ClH/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23;/h2-12,20,27H,13-18H2,1H3;1H
InChIKeyVQAAEWMEVIOHTJ-UHFFFAOYSA-N
XLogP3.83
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride (CID 6603044) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride is COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1.Cl.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride?
The InChIKey is VQAAEWMEVIOHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3.ClH/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23;/h2-12,20,27H,13-18H2,1H3;1H.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride?
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride has a molecular weight of 428.96 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride is sourced from PubChem (CID 6603044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).