[4-(2-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone

C13H23NO3 — CID 121200652

IUPAC[4-(2-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCC(CCO)CC1
InChIInChI=1S/C13H23NO3/c15-8-3-11-1-6-14(7-2-11)13(16)12-4-9-17-10-5-12/h11-12,15H,1-10H2
InChIKeyVRBBOUMERAOAFT-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.03
Rot. Bonds3

About [4-(2-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone

[4-(2-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 121200652) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
PubChem CID121200652
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name[4-(2-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCC(CCO)CC1
InChIInChI=1S/C13H23NO3/c15-8-3-11-1-6-14(7-2-11)13(16)12-4-9-17-10-5-12/h11-12,15H,1-10H2
InChIKeyVRBBOUMERAOAFT-UHFFFAOYSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200495
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 115746294
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 129367608
cyclopent-3-en-1-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200728
(4-methylpiperidin-1-yl)-(oxan-4-yl)methanone
CID 78803278
cyclopropyl-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 60773958
[4-(1-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 112537685
[1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764611
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-methylcyclohexyl)methanone
CID 115775330
4-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]benzamide
CID 91911366
oxan-4-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone
CID 167312068
4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493390

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [4-(2-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone (CID 121200652) is [4-(2-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [4-(2-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [4-(2-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone is O=C(C1CCOCC1)N1CCC(CCO)CC1.
What is the InChIKey of [4-(2-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is VRBBOUMERAOAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c15-8-3-11-1-6-14(7-2-11)13(16)12-4-9-17-10-5-12/h11-12,15H,1-10H2.
What are the key properties of [4-(2-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone?
[4-(2-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 241.33 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 121200652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).