1-(3-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride

C19H26ClN3O3 — CID 15945839

IUPAC1-(3-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride
SMILESCOc1cccc(OCC(O)CN2CCN(c3ccccn3)CC2)c1.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-24-17-5-4-6-18(13-17)25-15-16(23)14-21-9-11-22(12-10-21)19-7-2-3-8-20-19;/h2-8,13,16,23H,9-12,14-15H2,1H3;1H
InChIKeyYMTGJMQQPHGQSU-UHFFFAOYSA-N
MW379.89 g/mol
LogP2.07
Rot. Bonds7

About 1-(3-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride

1-(3-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride (PubChem CID 15945839) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is 1-(3-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(3-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride
PubChem CID15945839
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name1-(3-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride
SMILESCOc1cccc(OCC(O)CN2CCN(c3ccccn3)CC2)c1.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-24-17-5-4-6-18(13-17)25-15-16(23)14-21-9-11-22(12-10-21)19-7-2-3-8-20-19;/h2-8,13,16,23H,9-12,14-15H2,1H3;1H
InChIKeyYMTGJMQQPHGQSU-UHFFFAOYSA-N
XLogP2.07
TPSA58.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-(3-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride (CID 15945839) is 1-(3-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(3-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(3-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride is COc1cccc(OCC(O)CN2CCN(c3ccccn3)CC2)c1.Cl.
What is the InChIKey of 1-(3-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride?
The InChIKey is YMTGJMQQPHGQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3.ClH/c1-24-17-5-4-6-18(13-17)25-15-16(23)14-21-9-11-22(12-10-21)19-7-2-3-8-20-19;/h2-8,13,16,23H,9-12,14-15H2,1H3;1H.
What are the key properties of 1-(3-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride?
1-(3-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 15945839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).