[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-2-yl]methanol

C12H21NO2 — CID 115879659

IUPAC[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-2-yl]methanol
SMILESOCC1CCCCN1CC1=CCCOC1
InChIInChI=1S/C12H21NO2/c14-9-12-5-1-2-6-13(12)8-11-4-3-7-15-10-11/h4,12,14H,1-3,5-10H2
InChIKeyUOWHWDDLJYEYCW-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.18
Rot. Bonds3

About [1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-2-yl]methanol

[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-2-yl]methanol (PubChem CID 115879659) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is [1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-2-yl]methanol
PubChem CID115879659
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-2-yl]methanol
SMILESOCC1CCCCN1CC1=CCCOC1
InChIInChI=1S/C12H21NO2/c14-9-12-5-1-2-6-13(12)8-11-4-3-7-15-10-11/h4,12,14H,1-3,5-10H2
InChIKeyUOWHWDDLJYEYCW-UHFFFAOYSA-N
XLogP1.18
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-2-yl]methanol?
The IUPAC name of [1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-2-yl]methanol (CID 115879659) is [1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-2-yl]methanol is OCC1CCCCN1CC1=CCCOC1.
What is the InChIKey of [1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-2-yl]methanol?
The InChIKey is UOWHWDDLJYEYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-9-12-5-1-2-6-13(12)8-11-4-3-7-15-10-11/h4,12,14H,1-3,5-10H2.
What are the key properties of [1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-2-yl]methanol?
[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-2-yl]methanol has a molecular weight of 211.30 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-2-yl]methanol is sourced from PubChem (CID 115879659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).