[(3R)-3-(2-methoxyethyl)-1-(oxan-4-yl)piperidin-3-yl]methanol

C14H27NO3 — CID 97148823

IUPAC[(3R)-3-(2-methoxyethyl)-1-(oxan-4-yl)piperidin-3-yl]methanol
SMILESCOCC[C@]1(CO)CCCN(C2CCOCC2)C1
InChIInChI=1S/C14H27NO3/c1-17-10-6-14(12-16)5-2-7-15(11-14)13-3-8-18-9-4-13/h13,16H,2-12H2,1H3/t14-/m1/s1
InChIKeyXOPCFGIXBQZHSM-CQSZACIVSA-N
MW257.37 g/mol
LogP1.28
Rot. Bonds5

About [(3R)-3-(2-methoxyethyl)-1-(oxan-4-yl)piperidin-3-yl]methanol

[(3R)-3-(2-methoxyethyl)-1-(oxan-4-yl)piperidin-3-yl]methanol (PubChem CID 97148823) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is [(3R)-3-(2-methoxyethyl)-1-(oxan-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-(2-methoxyethyl)-1-(oxan-4-yl)piperidin-3-yl]methanol
PubChem CID97148823
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name[(3R)-3-(2-methoxyethyl)-1-(oxan-4-yl)piperidin-3-yl]methanol
SMILESCOCC[C@]1(CO)CCCN(C2CCOCC2)C1
InChIInChI=1S/C14H27NO3/c1-17-10-6-14(12-16)5-2-7-15(11-14)13-3-8-18-9-4-13/h13,16H,2-12H2,1H3/t14-/m1/s1
InChIKeyXOPCFGIXBQZHSM-CQSZACIVSA-N
XLogP1.28
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(2-methoxyethyl)-1-(oxan-4-yl)piperidin-3-yl]methanol?
The IUPAC name of [(3R)-3-(2-methoxyethyl)-1-(oxan-4-yl)piperidin-3-yl]methanol (CID 97148823) is [(3R)-3-(2-methoxyethyl)-1-(oxan-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-3-(2-methoxyethyl)-1-(oxan-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-3-(2-methoxyethyl)-1-(oxan-4-yl)piperidin-3-yl]methanol is COCC[C@]1(CO)CCCN(C2CCOCC2)C1.
What is the InChIKey of [(3R)-3-(2-methoxyethyl)-1-(oxan-4-yl)piperidin-3-yl]methanol?
The InChIKey is XOPCFGIXBQZHSM-CQSZACIVSA-N. The full InChI is InChI=1S/C14H27NO3/c1-17-10-6-14(12-16)5-2-7-15(11-14)13-3-8-18-9-4-13/h13,16H,2-12H2,1H3/t14-/m1/s1.
What are the key properties of [(3R)-3-(2-methoxyethyl)-1-(oxan-4-yl)piperidin-3-yl]methanol?
[(3R)-3-(2-methoxyethyl)-1-(oxan-4-yl)piperidin-3-yl]methanol has a molecular weight of 257.37 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(2-methoxyethyl)-1-(oxan-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 97148823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).