1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(methylamino)propan-1-one

C11H22N2O3 — CID 82696316

IUPAC1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(methylamino)propan-1-one
SMILESCNCCC(=O)N1CCC(OCCO)CC1
InChIInChI=1S/C11H22N2O3/c1-12-5-2-11(15)13-6-3-10(4-7-13)16-9-8-14/h10,12,14H,2-9H2,1H3
InChIKeyJYJNQRDIKPAITL-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.40
Rot. Bonds6

About 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(methylamino)propan-1-one

1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(methylamino)propan-1-one (PubChem CID 82696316) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(methylamino)propan-1-one
PubChem CID82696316
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(methylamino)propan-1-one
SMILESCNCCC(=O)N1CCC(OCCO)CC1
InChIInChI=1S/C11H22N2O3/c1-12-5-2-11(15)13-6-3-10(4-7-13)16-9-8-14/h10,12,14H,2-9H2,1H3
InChIKeyJYJNQRDIKPAITL-UHFFFAOYSA-N
XLogP-0.40
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[3-(methylamino)propanoyl]piperidin-4-yl]oxypropanoic acid
CID 63876085
4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]butan-1-one
CID 82693325
4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]pentan-1-one
CID 82693542
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-(propylamino)ethanone
CID 82695486
methyl 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoacetate
CID 112617528
[4-(2-hydroxyethoxy)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 82691361
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one
CID 114797505
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 82690835
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-methoxy-3-methylbutan-1-one
CID 82691506
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 82015841
3-(cyclopropylamino)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one
CID 60947240
1-(4-cyclopentyloxypiperidin-1-yl)-4-(methylamino)butan-1-one
CID 119765233

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(methylamino)propan-1-one?
The IUPAC name of 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(methylamino)propan-1-one (CID 82696316) is 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(methylamino)propan-1-one?
The canonical SMILES for 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(methylamino)propan-1-one is CNCCC(=O)N1CCC(OCCO)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(methylamino)propan-1-one?
The InChIKey is JYJNQRDIKPAITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-12-5-2-11(15)13-6-3-10(4-7-13)16-9-8-14/h10,12,14H,2-9H2,1H3.
What are the key properties of 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(methylamino)propan-1-one?
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(methylamino)propan-1-one has a molecular weight of 230.31 g/mol, XLogP of -0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(methylamino)propan-1-one is sourced from PubChem (CID 82696316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).