1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride

C19H38ClNO2 — CID 2769749

IUPAC1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride
SMILESCC1CCN(CC(O)COC2CC(C)CCC2C(C)C)CC1.Cl
InChIInChI=1S/C19H37NO2.ClH/c1-14(2)18-6-5-16(4)11-19(18)22-13-17(21)12-20-9-7-15(3)8-10-20;/h14-19,21H,5-13H2,1-4H3;1H
InChIKeyMURWOCULVSXDRQ-UHFFFAOYSA-N
MW347.97 g/mol
LogP3.98
Rot. Bonds6

About 1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride

1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride (PubChem CID 2769749) has the molecular formula C19H38ClNO2 and a molecular weight of 347.97 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride
PubChem CID2769749
Molecular FormulaC19H38ClNO2
Molecular Weight347.97 g/mol
Exact Mass347.26
IUPAC Name1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride
SMILESCC1CCN(CC(O)COC2CC(C)CCC2C(C)C)CC1.Cl
InChIInChI=1S/C19H37NO2.ClH/c1-14(2)18-6-5-16(4)11-19(18)22-13-17(21)12-20-9-7-15(3)8-10-20;/h14-19,21H,5-13H2,1-4H3;1H
InChIKeyMURWOCULVSXDRQ-UHFFFAOYSA-N
XLogP3.98
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride (CID 2769749) is 1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride is CC1CCN(CC(O)COC2CC(C)CCC2C(C)C)CC1.Cl.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride?
The InChIKey is MURWOCULVSXDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2.ClH/c1-14(2)18-6-5-16(4)11-19(18)22-13-17(21)12-20-9-7-15(3)8-10-20;/h14-19,21H,5-13H2,1-4H3;1H.
What are the key properties of 1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride?
1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride has a molecular weight of 347.97 g/mol, XLogP of 3.98, 6 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-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride is sourced from PubChem (CID 2769749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).