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

C19H37NO2 — CID 2867133

IUPAC1-(3-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol
SMILESCC1CCC(C(C)C)C(OCC(O)CN2CCCC(C)C2)C1
InChIInChI=1S/C19H37NO2/c1-14(2)18-8-7-15(3)10-19(18)22-13-17(21)12-20-9-5-6-16(4)11-20/h14-19,21H,5-13H2,1-4H3
InChIKeyFMTHLQDBSCILBQ-UHFFFAOYSA-N
MW311.51 g/mol
LogP3.56
Rot. Bonds6

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

1-(3-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol (PubChem CID 2867133) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol
PubChem CID2867133
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Name1-(3-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol
SMILESCC1CCC(C(C)C)C(OCC(O)CN2CCCC(C)C2)C1
InChIInChI=1S/C19H37NO2/c1-14(2)18-8-7-15(3)10-19(18)22-13-17(21)12-20-9-5-6-16(4)11-20/h14-19,21H,5-13H2,1-4H3
InChIKeyFMTHLQDBSCILBQ-UHFFFAOYSA-N
XLogP3.56
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-((2-Isopropyl-5-methylcyclohexyl)oxy)-3-(3-methylpiperidin-1-yl)propan-2-ol hydrochloride
CID 2867132
1-[(4-Tert-butylcyclohexyl)oxy]-3-(2,6-dimethyl-1-piperidinyl)-2-propanol hydrochloride
CID 2882278
1-(2-Methylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride
CID 16241438
1-(3,5-Dimethylpiperidin-1-yl)-3-[(3,3,5-trimethylcyclohexyl)oxy]propan-2-ol
CID 23723107
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyhexyl]piperidine-3,4,5-triol
CID 53324749
1-((2-Isopropyl-5-methylcyclohexyl)oxy)-3-(4-methylpiperidin-1-yl)propan-2-ol hydrochloride
CID 2769749
1-(4-Tert-butylcyclohexyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 2882591
1-(4-Methylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride
CID 2892386
1-[(4-Tert-butylcyclohexyl)oxy]-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 2882279
1-[(2-Isopropyl-5-methylcyclohexyl)oxy]-3-(4-morpholinyl)-2-propanol hydrochloride
CID 2769746
1-(2,6-Dimethylpiperidin-1-yl)-3-((2-isopropyl-5-methylcyclohexyl)oxy)propan-2-ol
CID 2870295
1-(2-Hydroxy-3-((2-isopropyl-5-methylcyclohexyl)oxy)propyl)-1-methylpiperidin-1-ium iodide
CID 16192726

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol (CID 2867133) is 1-(3-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol is CC1CCC(C(C)C)C(OCC(O)CN2CCCC(C)C2)C1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol?
The InChIKey is FMTHLQDBSCILBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2/c1-14(2)18-8-7-15(3)10-19(18)22-13-17(21)12-20-9-5-6-16(4)11-20/h14-19,21H,5-13H2,1-4H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol?
1-(3-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol has a molecular weight of 311.51 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 2867133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).