1-(3,5-dimethylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride

C15H32ClNO2 — CID 16958190

IUPAC1-(3,5-dimethylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride
SMILESCCC(C)(C)OCC(O)CN1CC(C)CC(C)C1.Cl
InChIInChI=1S/C15H31NO2.ClH/c1-6-15(4,5)18-11-14(17)10-16-8-12(2)7-13(3)9-16;/h12-14,17H,6-11H2,1-5H3;1H
InChIKeyGAYTZZOXVJPADY-UHFFFAOYSA-N
MW293.88 g/mol
LogP2.95
Rot. Bonds6

About 1-(3,5-dimethylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride

1-(3,5-dimethylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride (PubChem CID 16958190) has the molecular formula C15H32ClNO2 and a molecular weight of 293.88 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride
PubChem CID16958190
Molecular FormulaC15H32ClNO2
Molecular Weight293.88 g/mol
Exact Mass293.21
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride
SMILESCCC(C)(C)OCC(O)CN1CC(C)CC(C)C1.Cl
InChIInChI=1S/C15H31NO2.ClH/c1-6-15(4,5)18-11-14(17)10-16-8-12(2)7-13(3)9-16;/h12-14,17H,6-11H2,1-5H3;1H
InChIKeyGAYTZZOXVJPADY-UHFFFAOYSA-N
XLogP2.95
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.88
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 16876971
CID 16958214
CID 16958214
CID 16958271
CID 16958271
CID 16958272
CID 16958272
CID 18593245
CID 18593245
CID 18593246
CID 18593246
CID 44117052
CID 44117052
CID 45283610
CID 45283610
CID 45283656
CID 45283656
CID 45283657
CID 45283657

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride (CID 16958190) is 1-(3,5-dimethylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride is CCC(C)(C)OCC(O)CN1CC(C)CC(C)C1.Cl.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride?
The InChIKey is GAYTZZOXVJPADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2.ClH/c1-6-15(4,5)18-11-14(17)10-16-8-12(2)7-13(3)9-16;/h12-14,17H,6-11H2,1-5H3;1H.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride?
1-(3,5-dimethylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride has a molecular weight of 293.88 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 16958190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).