1-(4-methylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride

C18H36ClNO2 — CID 2892386

IUPAC1-(4-methylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride
SMILESCC1CCN(CC(O)COC2CC(C)CC(C)(C)C2)CC1.Cl
InChIInChI=1S/C18H35NO2.ClH/c1-14-5-7-19(8-6-14)12-16(20)13-21-17-9-15(2)10-18(3,4)11-17;/h14-17,20H,5-13H2,1-4H3;1H
InChIKeyMTAPLGQYRVYIJE-UHFFFAOYSA-N
MW333.94 g/mol
LogP3.73
Rot. Bonds5

About 1-(4-methylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride

1-(4-methylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride (PubChem CID 2892386) has the molecular formula C18H36ClNO2 and a molecular weight of 333.94 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride
PubChem CID2892386
Molecular FormulaC18H36ClNO2
Molecular Weight333.94 g/mol
Exact Mass333.24
IUPAC Name1-(4-methylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride
SMILESCC1CCN(CC(O)COC2CC(C)CC(C)(C)C2)CC1.Cl
InChIInChI=1S/C18H35NO2.ClH/c1-14-5-7-19(8-6-14)12-16(20)13-21-17-9-15(2)10-18(3,4)11-17;/h14-17,20H,5-13H2,1-4H3;1H
InChIKeyMTAPLGQYRVYIJE-UHFFFAOYSA-N
XLogP3.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.94
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride (CID 2892386) is 1-(4-methylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride is CC1CCN(CC(O)COC2CC(C)CC(C)(C)C2)CC1.Cl.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride?
The InChIKey is MTAPLGQYRVYIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2.ClH/c1-14-5-7-19(8-6-14)12-16(20)13-21-17-9-15(2)10-18(3,4)11-17;/h14-17,20H,5-13H2,1-4H3;1H.
What are the key properties of 1-(4-methylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride?
1-(4-methylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride has a molecular weight of 333.94 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride is sourced from PubChem (CID 2892386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).