2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone

C15H28N2O3 — CID 97152457

IUPAC2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCCC[C@]1(CO)CCCN(CC(=O)N2CCOCC2)C1
InChIInChI=1S/C15H28N2O3/c1-2-4-15(13-18)5-3-6-16(12-15)11-14(19)17-7-9-20-10-8-17/h18H,2-13H2,1H3/t15-/m0/s1
InChIKeyRQSGFQKHEALYFQ-HNNXBMFYSA-N
MW284.40 g/mol
LogP0.72
Rot. Bonds5

About 2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone

2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 97152457) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID97152457
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCCC[C@]1(CO)CCCN(CC(=O)N2CCOCC2)C1
InChIInChI=1S/C15H28N2O3/c1-2-4-15(13-18)5-3-6-16(12-15)11-14(19)17-7-9-20-10-8-17/h18H,2-13H2,1H3/t15-/m0/s1
InChIKeyRQSGFQKHEALYFQ-HNNXBMFYSA-N
XLogP0.72
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

{1-[(4-Ethylpiperazin-1-yl)acetyl]-3-propylpiperidin-3-yl}methanol
CID 70772887
1-[4-(Hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone
CID 91921793
2-[3-Fluoro-3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylethanone
CID 137872105
1-(3-Hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-morpholin-4-ylethanone
CID 132334656
2-[3-(Hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 60638679
2-[3-(Hydroxymethyl)piperidin-1-yl]-1-(morpholin-4-yl)ethan-1-one
CID 60644902
2-[3-(Hydroxymethyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 60645001
1-(2,6-Dimethylmorpholin-4-yl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60688665
2-[3-(Hydroxymethyl)piperidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 60705730
2-[3-(2-Hydroxyethyl)piperidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 62357510
2-[3-(2-Hydroxyethyl)piperidin-1-yl]-1-morpholin-4-ylethanone
CID 62357651
1-(2,6-Dimethylmorpholin-4-yl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62358327

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone (CID 97152457) is 2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone is CCC[C@]1(CO)CCCN(CC(=O)N2CCOCC2)C1.
What is the InChIKey of 2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is RQSGFQKHEALYFQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-2-4-15(13-18)5-3-6-16(12-15)11-14(19)17-7-9-20-10-8-17/h18H,2-13H2,1H3/t15-/m0/s1.
What are the key properties of 2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone?
2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 284.40 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 97152457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).