[4-(hydroxymethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone

C12H21NO3 — CID 79759313

IUPAC[4-(hydroxymethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)N1CCC(CO)CC1
InChIInChI=1S/C12H21NO3/c1-9-11(4-7-16-9)12(15)13-5-2-10(8-14)3-6-13/h9-11,14H,2-8H2,1H3
InChIKeyZUYUMUZMFVGSLM-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.64
Rot. Bonds2

About [4-(hydroxymethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone

[4-(hydroxymethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone (PubChem CID 79759313) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone
PubChem CID79759313
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name[4-(hydroxymethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)N1CCC(CO)CC1
InChIInChI=1S/C12H21NO3/c1-9-11(4-7-16-9)12(15)13-5-2-10(8-14)3-6-13/h9-11,14H,2-8H2,1H3
InChIKeyZUYUMUZMFVGSLM-UHFFFAOYSA-N
XLogP0.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 79758718
(2-methyloxolan-3-yl)-morpholin-4-ylmethanone
CID 79759463
[4-(2-bromoethoxy)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 82701710
[4-(2-aminoethyl)piperazin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 79750219
2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 43246110
2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 113360949
(3-hydroxy-4-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 103900749
1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79750690
(3-bromo-4-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 102962350
[4-(5-aminopentyl)piperazin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 79750598
[3-(methylaminomethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 79760320
4-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79750313

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone?
The IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone (CID 79759313) is [4-(hydroxymethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone.
What is the SMILES notation for [4-(hydroxymethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone?
The canonical SMILES for [4-(hydroxymethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone is CC1OCCC1C(=O)N1CCC(CO)CC1.
What is the InChIKey of [4-(hydroxymethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone?
The InChIKey is ZUYUMUZMFVGSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9-11(4-7-16-9)12(15)13-5-2-10(8-14)3-6-13/h9-11,14H,2-8H2,1H3.
What are the key properties of [4-(hydroxymethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone?
[4-(hydroxymethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone has a molecular weight of 227.30 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone is sourced from PubChem (CID 79759313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).