1-[4-[3-(2-hydroxyethoxy)propylamino]piperidin-1-yl]ethanone

C12H24N2O3 — CID 103992533

IUPAC1-[4-[3-(2-hydroxyethoxy)propylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCCCOCCO)CC1
InChIInChI=1S/C12H24N2O3/c1-11(16)14-6-3-12(4-7-14)13-5-2-9-17-10-8-15/h12-13,15H,2-10H2,1H3
InChIKeyDAKOMSGKNGWJDO-UHFFFAOYSA-N
MW244.33 g/mol
LogP-0.01
Rot. Bonds7

About 1-[4-[3-(2-hydroxyethoxy)propylamino]piperidin-1-yl]ethanone

1-[4-[3-(2-hydroxyethoxy)propylamino]piperidin-1-yl]ethanone (PubChem CID 103992533) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-[4-[3-(2-hydroxyethoxy)propylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(2-hydroxyethoxy)propylamino]piperidin-1-yl]ethanone
PubChem CID103992533
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1-[4-[3-(2-hydroxyethoxy)propylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCCCOCCO)CC1
InChIInChI=1S/C12H24N2O3/c1-11(16)14-6-3-12(4-7-14)13-5-2-9-17-10-8-15/h12-13,15H,2-10H2,1H3
InChIKeyDAKOMSGKNGWJDO-UHFFFAOYSA-N
XLogP-0.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-propan-2-yloxypropylamino)piperidin-1-yl]ethanone
CID 25219591
1-[4-(3-cyclohexyloxypropylamino)piperidin-1-yl]ethanone
CID 43225558
4-[(1-acetylpiperidin-4-yl)amino]butanamide
CID 60864118
1-[4-(hexylamino)piperidin-1-yl]ethanone
CID 43222793
1-[4-(4-aminobutylamino)piperidin-1-yl]ethanone
CID 60894186
1-[4-(2-but-3-enoxyethylamino)piperidin-1-yl]ethanone
CID 103854368
1-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]ethanone
CID 103859428
1-[4-(2-propan-2-yloxyethylamino)piperidin-1-yl]ethanone
CID 115574825
1-[4-(4-methylsulfanylbutylamino)piperidin-1-yl]ethanone
CID 115639158
3-[(1-acetylpiperidin-4-yl)amino]propanamide
CID 43224982
1-[4-(2-phenoxyethylamino)piperidin-1-yl]ethanone
CID 54941279
1-[4-(2-methylsulfanylethylamino)piperidin-1-yl]ethanone
CID 60663581

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2-hydroxyethoxy)propylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(2-hydroxyethoxy)propylamino]piperidin-1-yl]ethanone (CID 103992533) is 1-[4-[3-(2-hydroxyethoxy)propylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(2-hydroxyethoxy)propylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(2-hydroxyethoxy)propylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NCCCOCCO)CC1.
What is the InChIKey of 1-[4-[3-(2-hydroxyethoxy)propylamino]piperidin-1-yl]ethanone?
The InChIKey is DAKOMSGKNGWJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-11(16)14-6-3-12(4-7-14)13-5-2-9-17-10-8-15/h12-13,15H,2-10H2,1H3.
What are the key properties of 1-[4-[3-(2-hydroxyethoxy)propylamino]piperidin-1-yl]ethanone?
1-[4-[3-(2-hydroxyethoxy)propylamino]piperidin-1-yl]ethanone has a molecular weight of 244.33 g/mol, XLogP of -0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2-hydroxyethoxy)propylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 103992533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).