[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methanol

C13H23NO2 — CID 62521695

IUPAC[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methanol
SMILESOCC1(NCC2CCC=CO2)CCCCC1
InChIInChI=1S/C13H23NO2/c15-11-13(7-3-1-4-8-13)14-10-12-6-2-5-9-16-12/h5,9,12,14-15H,1-4,6-8,10-11H2
InChIKeyUHRZIRSCONPVET-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.96
Rot. Bonds4

About [1-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methanol

[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methanol (PubChem CID 62521695) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is [1-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methanol
PubChem CID62521695
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methanol
SMILESOCC1(NCC2CCC=CO2)CCCCC1
InChIInChI=1S/C13H23NO2/c15-11-13(7-3-1-4-8-13)14-10-12-6-2-5-9-16-12/h5,9,12,14-15H,1-4,6-8,10-11H2
InChIKeyUHRZIRSCONPVET-UHFFFAOYSA-N
XLogP1.96
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methanol?
The IUPAC name of [1-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methanol (CID 62521695) is [1-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methanol.
What is the SMILES notation for [1-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methanol?
The canonical SMILES for [1-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methanol is OCC1(NCC2CCC=CO2)CCCCC1.
What is the InChIKey of [1-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methanol?
The InChIKey is UHRZIRSCONPVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-11-13(7-3-1-4-8-13)14-10-12-6-2-5-9-16-12/h5,9,12,14-15H,1-4,6-8,10-11H2.
What are the key properties of [1-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methanol?
[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methanol has a molecular weight of 225.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methanol is sourced from PubChem (CID 62521695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).