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

C15H28N2O3 — CID 72931753

IUPAC2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCCCC1(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
InChIKeyRQSGFQKHEALYFQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.72
Rot. Bonds5

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

2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 72931753) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID72931753
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCCCC1(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
InChIKeyRQSGFQKHEALYFQ-UHFFFAOYSA-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

2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone
CID 97152457
3-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 97127610
2-[4-[[(3R)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 97130335
2-[4-[[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 97130334
2-[(4S)-2,2-dimethyl-4-propyloxan-4-yl]-1-morpholin-4-ylethanone
CID 97265501
(3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid
CID 97144655
1-(azetidin-1-yl)-2-(3-fluoro-3-methylpiperidin-1-yl)ethanone
CID 126790320
3-ethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperidine-3-carboxylic acid
CID 63137530
3-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 97132495
[(3R)-1-(2-imidazol-1-ylethyl)-3-propylpiperidin-3-yl]methanol
CID 97120592
2-[4-(dimethylamino)phenyl]-1-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]ethanone
CID 97148077
1-[(3R)-2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone
CID 125023420

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone (CID 72931753) is 2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone is CCCC1(CO)CCCN(CC(=O)N2CCOCC2)C1.
What is the InChIKey of 2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is RQSGFQKHEALYFQ-UHFFFAOYSA-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.
What are the key properties of 2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone?
2-[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-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 72931753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).