1-(2,5-dimethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride

C17H28ClNO2 — CID 6602990

IUPAC1-(2,5-dimethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCc1ccc(C)c(OCC(O)CN2CCCCC2C)c1.Cl
InChIInChI=1S/C17H27NO2.ClH/c1-13-7-8-14(2)17(10-13)20-12-16(19)11-18-9-5-4-6-15(18)3;/h7-8,10,15-16,19H,4-6,9,11-12H2,1-3H3;1H
InChIKeyYSNKPLHLWOHLAC-UHFFFAOYSA-N
MW313.87 g/mol
LogP3.34
Rot. Bonds5

About 1-(2,5-dimethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride

1-(2,5-dimethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride (PubChem CID 6602990) has the molecular formula C17H28ClNO2 and a molecular weight of 313.87 g/mol. Its IUPAC name is 1-(2,5-dimethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2,5-dimethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride
PubChem CID6602990
Molecular FormulaC17H28ClNO2
Molecular Weight313.87 g/mol
Exact Mass313.18
IUPAC Name1-(2,5-dimethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCc1ccc(C)c(OCC(O)CN2CCCCC2C)c1.Cl
InChIInChI=1S/C17H27NO2.ClH/c1-13-7-8-14(2)17(10-13)20-12-16(19)11-18-9-5-4-6-15(18)3;/h7-8,10,15-16,19H,4-6,9,11-12H2,1-3H3;1H
InChIKeyYSNKPLHLWOHLAC-UHFFFAOYSA-N
XLogP3.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-(2,5-dimethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride (CID 6602990) is 1-(2,5-dimethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2,5-dimethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2,5-dimethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride is Cc1ccc(C)c(OCC(O)CN2CCCCC2C)c1.Cl.
What is the InChIKey of 1-(2,5-dimethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
The InChIKey is YSNKPLHLWOHLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2.ClH/c1-13-7-8-14(2)17(10-13)20-12-16(19)11-18-9-5-4-6-15(18)3;/h7-8,10,15-16,19H,4-6,9,11-12H2,1-3H3;1H.
What are the key properties of 1-(2,5-dimethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
1-(2,5-dimethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride has a molecular weight of 313.87 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 6602990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).