1-[4-(1-aminoethyl)piperidin-1-yl]-2-methoxypropan-1-one

C11H22N2O2 — CID 115737084

IUPAC1-[4-(1-aminoethyl)piperidin-1-yl]-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1CCC(C(C)N)CC1
InChIInChI=1S/C11H22N2O2/c1-8(12)10-4-6-13(7-5-10)11(14)9(2)15-3/h8-10H,4-7,12H2,1-3H3
InChIKeyRUKPJNJPNKGFIZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds3

About 1-[4-(1-aminoethyl)piperidin-1-yl]-2-methoxypropan-1-one

1-[4-(1-aminoethyl)piperidin-1-yl]-2-methoxypropan-1-one (PubChem CID 115737084) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-methoxypropan-1-one.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-methoxypropan-1-one
PubChem CID115737084
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1CCC(C(C)N)CC1
InChIInChI=1S/C11H22N2O2/c1-8(12)10-4-6-13(7-5-10)11(14)9(2)15-3/h8-10H,4-7,12H2,1-3H3
InChIKeyRUKPJNJPNKGFIZ-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl] carbamate
CID 175284066
2-methoxy-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 77474038
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 119520564
1-[4-(1-aminoethyl)piperidin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 119519463
4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid
CID 137372946
1-(3-ethylpyrrolidin-1-yl)-2-methoxypropan-1-one
CID 115686899
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3,4-difluorophenoxy)propan-1-one
CID 119517559
N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 154863211
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3,4-difluorophenoxy)propan-1-one;hydrochloride
CID 119517558
4-(1-aminoethyl)-N-tert-butylpiperidine-1-carboxamide
CID 63596385
3-[1-(2-methoxypropanoyl)piperidin-4-yl]propanoic acid
CID 112568653
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one
CID 119517369

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-methoxypropan-1-one?
The IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-methoxypropan-1-one (CID 115737084) is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-methoxypropan-1-one.
What is the SMILES notation for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-methoxypropan-1-one?
The canonical SMILES for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-methoxypropan-1-one is COC(C)C(=O)N1CCC(C(C)N)CC1.
What is the InChIKey of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-methoxypropan-1-one?
The InChIKey is RUKPJNJPNKGFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(12)10-4-6-13(7-5-10)11(14)9(2)15-3/h8-10H,4-7,12H2,1-3H3.
What are the key properties of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-methoxypropan-1-one?
1-[4-(1-aminoethyl)piperidin-1-yl]-2-methoxypropan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-methoxypropan-1-one is sourced from PubChem (CID 115737084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).