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

C19H26ClN3O2 — CID 2986193

IUPAC1-(2-methylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride
SMILESCc1ccccc1OCC(O)CN1CCN(c2ccccn2)CC1.Cl
InChIInChI=1S/C19H25N3O2.ClH/c1-16-6-2-3-7-18(16)24-15-17(23)14-21-10-12-22(13-11-21)19-8-4-5-9-20-19;/h2-9,17,23H,10-15H2,1H3;1H
InChIKeyAVMRUIYATZFROS-UHFFFAOYSA-N
MW363.89 g/mol
LogP2.37
Rot. Bonds6

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

1-(2-methylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride (PubChem CID 2986193) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 1-(2-methylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-methylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride
PubChem CID2986193
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name1-(2-methylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride
SMILESCc1ccccc1OCC(O)CN1CCN(c2ccccn2)CC1.Cl
InChIInChI=1S/C19H25N3O2.ClH/c1-16-6-2-3-7-18(16)24-15-17(23)14-21-10-12-22(13-11-21)19-8-4-5-9-20-19;/h2-9,17,23H,10-15H2,1H3;1H
InChIKeyAVMRUIYATZFROS-UHFFFAOYSA-N
XLogP2.37
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-(2-methylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride (CID 2986193) is 1-(2-methylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-methylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-methylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride is Cc1ccccc1OCC(O)CN1CCN(c2ccccn2)CC1.Cl.
What is the InChIKey of 1-(2-methylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride?
The InChIKey is AVMRUIYATZFROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.ClH/c1-16-6-2-3-7-18(16)24-15-17(23)14-21-10-12-22(13-11-21)19-8-4-5-9-20-19;/h2-9,17,23H,10-15H2,1H3;1H.
What are the key properties of 1-(2-methylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride?
1-(2-methylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride has a molecular weight of 363.89 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 2986193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).