(3S)-1-(oxan-2-ylmethyl)piperidin-3-ol

C11H21NO2 — CID 107225728

IUPAC(3S)-1-(oxan-2-ylmethyl)piperidin-3-ol
SMILESO[C@H]1CCCN(CC2CCCCO2)C1
InChIInChI=1S/C11H21NO2/c13-10-4-3-6-12(8-10)9-11-5-1-2-7-14-11/h10-11,13H,1-9H2/t10-,11?/m0/s1
InChIKeyAGAVMRPLCSBUDA-VUWPPUDQSA-N
MW199.29 g/mol
LogP1.01
Rot. Bonds2

About (3S)-1-(oxan-2-ylmethyl)piperidin-3-ol

(3S)-1-(oxan-2-ylmethyl)piperidin-3-ol (PubChem CID 107225728) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (3S)-1-(oxan-2-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(oxan-2-ylmethyl)piperidin-3-ol
PubChem CID107225728
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(3S)-1-(oxan-2-ylmethyl)piperidin-3-ol
SMILESO[C@H]1CCCN(CC2CCCCO2)C1
InChIInChI=1S/C11H21NO2/c13-10-4-3-6-12(8-10)9-11-5-1-2-7-14-11/h10-11,13H,1-9H2/t10-,11?/m0/s1
InChIKeyAGAVMRPLCSBUDA-VUWPPUDQSA-N
XLogP1.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(oxan-2-ylmethyl)piperidin-3-yl]ethanamine
CID 63762643
3-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine
CID 63386733
4-methyl-1-(oxan-2-ylmethyl)pyrrolidin-3-ol
CID 127008908
3-(bromomethyl)-1-(oxolan-2-ylmethyl)piperidine
CID 80680342
(3S)-1-[(5-methyloxolan-2-yl)methyl]piperidin-3-ol
CID 107225929
2-[(3S)-3-hydroxypiperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 107225746
3-cyclopropyl-1-(oxan-2-ylmethyl)-1,4-diazepane
CID 64871322
1-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71988710
1-(oxan-2-ylmethyl)piperazine
CID 14981447
3-cyclohexyl-1-(oxan-2-ylmethyl)-1,4-diazepane
CID 64871313
4-(oxan-2-ylmethyl)morpholine-2-carbonitrile
CID 112734106
N-methyl-1-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62512958

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(oxan-2-ylmethyl)piperidin-3-ol?
The IUPAC name of (3S)-1-(oxan-2-ylmethyl)piperidin-3-ol (CID 107225728) is (3S)-1-(oxan-2-ylmethyl)piperidin-3-ol.
What is the SMILES notation for (3S)-1-(oxan-2-ylmethyl)piperidin-3-ol?
The canonical SMILES for (3S)-1-(oxan-2-ylmethyl)piperidin-3-ol is O[C@H]1CCCN(CC2CCCCO2)C1.
What is the InChIKey of (3S)-1-(oxan-2-ylmethyl)piperidin-3-ol?
The InChIKey is AGAVMRPLCSBUDA-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H21NO2/c13-10-4-3-6-12(8-10)9-11-5-1-2-7-14-11/h10-11,13H,1-9H2/t10-,11?/m0/s1.
What are the key properties of (3S)-1-(oxan-2-ylmethyl)piperidin-3-ol?
(3S)-1-(oxan-2-ylmethyl)piperidin-3-ol has a molecular weight of 199.29 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(oxan-2-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 107225728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).