1-(4-aminopiperidin-1-yl)-2-methoxybutan-1-one

C10H20N2O2 — CID 119374175

IUPAC1-(4-aminopiperidin-1-yl)-2-methoxybutan-1-one
SMILESCCC(OC)C(=O)N1CCC(N)CC1
InChIInChI=1S/C10H20N2O2/c1-3-9(14-2)10(13)12-6-4-8(11)5-7-12/h8-9H,3-7,11H2,1-2H3
InChIKeyHSSXWCPGUZQMSM-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.36
Rot. Bonds3

About 1-(4-aminopiperidin-1-yl)-2-methoxybutan-1-one

1-(4-aminopiperidin-1-yl)-2-methoxybutan-1-one (PubChem CID 119374175) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-methoxybutan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-methoxybutan-1-one
PubChem CID119374175
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-(4-aminopiperidin-1-yl)-2-methoxybutan-1-one
SMILESCCC(OC)C(=O)N1CCC(N)CC1
InChIInChI=1S/C10H20N2O2/c1-3-9(14-2)10(13)12-6-4-8(11)5-7-12/h8-9H,3-7,11H2,1-2H3
InChIKeyHSSXWCPGUZQMSM-UHFFFAOYSA-N
XLogP0.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-cyclohexyloxybutan-1-one;hydrochloride
CID 119375428
3-amino-1-(4-hydroxypiperidin-1-yl)-2-methoxypropan-1-one
CID 106111138
1-(4-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 119377005
1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopentyloxybutan-1-one
CID 119410162
(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride
CID 131089631
3-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methoxypropan-1-one
CID 114145012
1-(4-aminopiperidin-1-yl)-2-butoxypropan-1-one;hydrochloride
CID 119376332
3-amino-2-methoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]propan-1-one
CID 106112209
3-amino-1-(3-tert-butylpyrrolidin-1-yl)-2-methoxypropan-1-one
CID 106113674
ethyl 2-(4-aminopiperidin-1-yl)-2-oxoacetate
CID 61403502
1-(4-aminopiperidin-1-yl)-2,3,3-trimethylbutan-1-one
CID 119374050
(4-aminopiperidin-1-yl)-(2-ethoxycyclopropyl)methanone;hydrochloride
CID 119376824

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-methoxybutan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-methoxybutan-1-one (CID 119374175) is 1-(4-aminopiperidin-1-yl)-2-methoxybutan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-methoxybutan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-methoxybutan-1-one is CCC(OC)C(=O)N1CCC(N)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-methoxybutan-1-one?
The InChIKey is HSSXWCPGUZQMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-9(14-2)10(13)12-6-4-8(11)5-7-12/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-methoxybutan-1-one?
1-(4-aminopiperidin-1-yl)-2-methoxybutan-1-one has a molecular weight of 200.28 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-methoxybutan-1-one is sourced from PubChem (CID 119374175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).