(3S)-1-[(5-methyloxolan-2-yl)methyl]piperidin-3-ol

C11H21NO2 — CID 107225929

IUPAC(3S)-1-[(5-methyloxolan-2-yl)methyl]piperidin-3-ol
SMILESCC1CCC(CN2CCC[C@H](O)C2)O1
InChIInChI=1S/C11H21NO2/c1-9-4-5-11(14-9)8-12-6-2-3-10(13)7-12/h9-11,13H,2-8H2,1H3/t9?,10-,11?/m0/s1
InChIKeyRPFPIWNENJAAKZ-YVNMAJEFSA-N
MW199.29 g/mol
LogP1.01
Rot. Bonds2

About (3S)-1-[(5-methyloxolan-2-yl)methyl]piperidin-3-ol

(3S)-1-[(5-methyloxolan-2-yl)methyl]piperidin-3-ol (PubChem CID 107225929) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (3S)-1-[(5-methyloxolan-2-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(5-methyloxolan-2-yl)methyl]piperidin-3-ol
PubChem CID107225929
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(3S)-1-[(5-methyloxolan-2-yl)methyl]piperidin-3-ol
SMILESCC1CCC(CN2CCC[C@H](O)C2)O1
InChIInChI=1S/C11H21NO2/c1-9-4-5-11(14-9)8-12-6-2-3-10(13)7-12/h9-11,13H,2-8H2,1H3/t9?,10-,11?/m0/s1
InChIKeyRPFPIWNENJAAKZ-YVNMAJEFSA-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

(3R,4S)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-3,4-diol
CID 103137660
1-[(5-methyloxolan-2-yl)methyl]piperidine-3-carboximidamide
CID 103134708
3-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane
CID 103141652
(3S)-1-(oxan-2-ylmethyl)piperidin-3-ol
CID 107225728
1-[(5-methyloxolan-2-yl)methyl]piperidine-3,4-dicarboxylic acid
CID 103136020
2-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 103137712
4-bromo-3-methyl-1-[(5-methyloxolan-2-yl)methyl]piperidine
CID 103140046
2-[(5-methyloxolan-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 103137662
1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 82838775
4-methyl-1-[(5-methyloxolan-2-yl)methyl]piperidin-4-ol
CID 103137665
3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]propanoic acid
CID 82838620
(3S)-1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-ol
CID 127014895

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(5-methyloxolan-2-yl)methyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[(5-methyloxolan-2-yl)methyl]piperidin-3-ol (CID 107225929) is (3S)-1-[(5-methyloxolan-2-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[(5-methyloxolan-2-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[(5-methyloxolan-2-yl)methyl]piperidin-3-ol is CC1CCC(CN2CCC[C@H](O)C2)O1.
What is the InChIKey of (3S)-1-[(5-methyloxolan-2-yl)methyl]piperidin-3-ol?
The InChIKey is RPFPIWNENJAAKZ-YVNMAJEFSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9-4-5-11(14-9)8-12-6-2-3-10(13)7-12/h9-11,13H,2-8H2,1H3/t9?,10-,11?/m0/s1.
What are the key properties of (3S)-1-[(5-methyloxolan-2-yl)methyl]piperidin-3-ol?
(3S)-1-[(5-methyloxolan-2-yl)methyl]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-[(5-methyloxolan-2-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 107225929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).