4-methyl-2-[(3-propoxypiperidin-1-yl)methyl]cyclohexan-1-ol

C16H31NO2 — CID 55094581

IUPAC4-methyl-2-[(3-propoxypiperidin-1-yl)methyl]cyclohexan-1-ol
SMILESCCCOC1CCCN(CC2CC(C)CCC2O)C1
InChIInChI=1S/C16H31NO2/c1-3-9-19-15-5-4-8-17(12-15)11-14-10-13(2)6-7-16(14)18/h13-16,18H,3-12H2,1-2H3
InChIKeyHLHDTQPLEBFHMZ-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.67
Rot. Bonds5

About 4-methyl-2-[(3-propoxypiperidin-1-yl)methyl]cyclohexan-1-ol

4-methyl-2-[(3-propoxypiperidin-1-yl)methyl]cyclohexan-1-ol (PubChem CID 55094581) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-methyl-2-[(3-propoxypiperidin-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[(3-propoxypiperidin-1-yl)methyl]cyclohexan-1-ol
PubChem CID55094581
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name4-methyl-2-[(3-propoxypiperidin-1-yl)methyl]cyclohexan-1-ol
SMILESCCCOC1CCCN(CC2CC(C)CCC2O)C1
InChIInChI=1S/C16H31NO2/c1-3-9-19-15-5-4-8-17(12-15)11-14-10-13(2)6-7-16(14)18/h13-16,18H,3-12H2,1-2H3
InChIKeyHLHDTQPLEBFHMZ-UHFFFAOYSA-N
XLogP2.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-propoxypiperidin-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-2-[(3-propoxypiperidin-1-yl)methyl]cyclohexan-1-ol (CID 55094581) is 4-methyl-2-[(3-propoxypiperidin-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-2-[(3-propoxypiperidin-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-2-[(3-propoxypiperidin-1-yl)methyl]cyclohexan-1-ol is CCCOC1CCCN(CC2CC(C)CCC2O)C1.
What is the InChIKey of 4-methyl-2-[(3-propoxypiperidin-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is HLHDTQPLEBFHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-3-9-19-15-5-4-8-17(12-15)11-14-10-13(2)6-7-16(14)18/h13-16,18H,3-12H2,1-2H3.
What are the key properties of 4-methyl-2-[(3-propoxypiperidin-1-yl)methyl]cyclohexan-1-ol?
4-methyl-2-[(3-propoxypiperidin-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-propoxypiperidin-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 55094581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).