1-(3,5-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride

C19H38ClNO2 — CID 23723107

IUPAC1-(3,5-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride
SMILESCC1CC(C)CN(CC(O)COC2CC(C)CC(C)(C)C2)C1.Cl
InChIInChI=1S/C19H37NO2.ClH/c1-14-7-18(9-19(4,5)8-14)22-13-17(21)12-20-10-15(2)6-16(3)11-20;/h14-18,21H,6-13H2,1-5H3;1H
InChIKeyWPFSZJBSIVWKQH-UHFFFAOYSA-N
MW347.97 g/mol
LogP3.98
Rot. Bonds5

About 1-(3,5-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride

1-(3,5-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride (PubChem CID 23723107) has the molecular formula C19H38ClNO2 and a molecular weight of 347.97 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride
PubChem CID23723107
Molecular FormulaC19H38ClNO2
Molecular Weight347.97 g/mol
Exact Mass347.26
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride
SMILESCC1CC(C)CN(CC(O)COC2CC(C)CC(C)(C)C2)C1.Cl
InChIInChI=1S/C19H37NO2.ClH/c1-14-7-18(9-19(4,5)8-14)22-13-17(21)12-20-10-15(2)6-16(3)11-20;/h14-18,21H,6-13H2,1-5H3;1H
InChIKeyWPFSZJBSIVWKQH-UHFFFAOYSA-N
XLogP3.98
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.97
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride (CID 23723107) is 1-(3,5-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride is CC1CC(C)CN(CC(O)COC2CC(C)CC(C)(C)C2)C1.Cl.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride?
The InChIKey is WPFSZJBSIVWKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2.ClH/c1-14-7-18(9-19(4,5)8-14)22-13-17(21)12-20-10-15(2)6-16(3)11-20;/h14-18,21H,6-13H2,1-5H3;1H.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride?
1-(3,5-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride has a molecular weight of 347.97 g/mol, XLogP of 3.98, 5 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-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride is sourced from PubChem (CID 23723107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).