[3-(hydroxymethyl)morpholin-4-yl]-(1-propan-2-ylpiperidin-4-yl)methanone

C14H26N2O3 — CID 70650528

IUPAC[3-(hydroxymethyl)morpholin-4-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
SMILESCC(C)N1CCC(C(=O)N2CCOCC2CO)CC1
InChIInChI=1S/C14H26N2O3/c1-11(2)15-5-3-12(4-6-15)14(18)16-7-8-19-10-13(16)9-17/h11-13,17H,3-10H2,1-2H3
InChIKeyJVZJFSZDSRAESP-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.33
Rot. Bonds3

About [3-(hydroxymethyl)morpholin-4-yl]-(1-propan-2-ylpiperidin-4-yl)methanone

[3-(hydroxymethyl)morpholin-4-yl]-(1-propan-2-ylpiperidin-4-yl)methanone (PubChem CID 70650528) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is [3-(hydroxymethyl)morpholin-4-yl]-(1-propan-2-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)morpholin-4-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
PubChem CID70650528
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name[3-(hydroxymethyl)morpholin-4-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
SMILESCC(C)N1CCC(C(=O)N2CCOCC2CO)CC1
InChIInChI=1S/C14H26N2O3/c1-11(2)15-5-3-12(4-6-15)14(18)16-7-8-19-10-13(16)9-17/h11-13,17H,3-10H2,1-2H3
InChIKeyJVZJFSZDSRAESP-UHFFFAOYSA-N
XLogP0.33
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,2-dimethylcyclopropyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 107002178
[(3R)-3-(2-methylpropyl)morpholin-4-yl]-(1-prop-2-ynylpiperidin-4-yl)methanone
CID 95380672
(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124991742
(4-aminocyclohexyl)-(3-ethylmorpholin-4-yl)methanone
CID 60847443
(2S)-2-amino-1-[3-(hydroxymethyl)morpholin-4-yl]-4-methylpentan-1-one
CID 104877390
cyclohexyl-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone
CID 97040260
cyclohexyl-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone
CID 71785875
[(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone
CID 95380643
cyclohexyl-[(3R)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone
CID 97040262
N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]-2-methyl-3-oxopropanimidamide
CID 104877501
(2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 104877480
2-azabicyclo[2.2.1]heptan-2-yl-(1-propan-2-ylpiperidin-4-yl)methanone
CID 89459187

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)morpholin-4-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
The IUPAC name of [3-(hydroxymethyl)morpholin-4-yl]-(1-propan-2-ylpiperidin-4-yl)methanone (CID 70650528) is [3-(hydroxymethyl)morpholin-4-yl]-(1-propan-2-ylpiperidin-4-yl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)morpholin-4-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
The canonical SMILES for [3-(hydroxymethyl)morpholin-4-yl]-(1-propan-2-ylpiperidin-4-yl)methanone is CC(C)N1CCC(C(=O)N2CCOCC2CO)CC1.
What is the InChIKey of [3-(hydroxymethyl)morpholin-4-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
The InChIKey is JVZJFSZDSRAESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11(2)15-5-3-12(4-6-15)14(18)16-7-8-19-10-13(16)9-17/h11-13,17H,3-10H2,1-2H3.
What are the key properties of [3-(hydroxymethyl)morpholin-4-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
[3-(hydroxymethyl)morpholin-4-yl]-(1-propan-2-ylpiperidin-4-yl)methanone has a molecular weight of 270.37 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)morpholin-4-yl]-(1-propan-2-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 70650528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).