1-(2-methylbutan-2-yloxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride

C14H30ClNO2 — CID 45283610

IUPAC1-(2-methylbutan-2-yloxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCCC(C)(C)OCC(O)CN1CCCC(C)C1.Cl
InChIInChI=1S/C14H29NO2.ClH/c1-5-14(3,4)17-11-13(16)10-15-8-6-7-12(2)9-15;/h12-13,16H,5-11H2,1-4H3;1H
InChIKeyHHYQGIQRZCLBSS-UHFFFAOYSA-N
MW279.85 g/mol
LogP2.71
Rot. Bonds6

About 1-(2-methylbutan-2-yloxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride

1-(2-methylbutan-2-yloxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride (PubChem CID 45283610) has the molecular formula C14H30ClNO2 and a molecular weight of 279.85 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yloxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-methylbutan-2-yloxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride
PubChem CID45283610
Molecular FormulaC14H30ClNO2
Molecular Weight279.85 g/mol
Exact Mass279.20
IUPAC Name1-(2-methylbutan-2-yloxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCCC(C)(C)OCC(O)CN1CCCC(C)C1.Cl
InChIInChI=1S/C14H29NO2.ClH/c1-5-14(3,4)17-11-13(16)10-15-8-6-7-12(2)9-15;/h12-13,16H,5-11H2,1-4H3;1H
InChIKeyHHYQGIQRZCLBSS-UHFFFAOYSA-N
XLogP2.71
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.85
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yloxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-(2-methylbutan-2-yloxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride (CID 45283610) is 1-(2-methylbutan-2-yloxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-methylbutan-2-yloxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-methylbutan-2-yloxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride is CCC(C)(C)OCC(O)CN1CCCC(C)C1.Cl.
What is the InChIKey of 1-(2-methylbutan-2-yloxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
The InChIKey is HHYQGIQRZCLBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2.ClH/c1-5-14(3,4)17-11-13(16)10-15-8-6-7-12(2)9-15;/h12-13,16H,5-11H2,1-4H3;1H.
What are the key properties of 1-(2-methylbutan-2-yloxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
1-(2-methylbutan-2-yloxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride has a molecular weight of 279.85 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yloxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 45283610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).