1-(4-aminopiperidin-1-yl)-2-methoxy-2-methylpropan-1-one

C10H20N2O2 — CID 103017125

IUPAC1-(4-aminopiperidin-1-yl)-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)N1CCC(N)CC1
InChIInChI=1S/C10H20N2O2/c1-10(2,14-3)9(13)12-6-4-8(11)5-7-12/h8H,4-7,11H2,1-3H3
InChIKeyYQUHXXMHSIVYKQ-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.36
Rot. Bonds2

About 1-(4-aminopiperidin-1-yl)-2-methoxy-2-methylpropan-1-one

1-(4-aminopiperidin-1-yl)-2-methoxy-2-methylpropan-1-one (PubChem CID 103017125) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-methoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-methoxy-2-methylpropan-1-one
PubChem CID103017125
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-(4-aminopiperidin-1-yl)-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)N1CCC(N)CC1
InChIInChI=1S/C10H20N2O2/c1-10(2,14-3)9(13)12-6-4-8(11)5-7-12/h8H,4-7,11H2,1-3H3
InChIKeyYQUHXXMHSIVYKQ-UHFFFAOYSA-N
XLogP0.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylpropanamide
CID 53523431
1-(4-Aminopiperidin-1-yl)-2-methoxyethan-1-one
CID 16777912
1-(4-Aminopiperidin-1-yl)-2-methoxyethan-1-one hydrochloride
CID 42937265
1-(3-Aminopiperidin-1-yl)-2-methoxyethan-1-one
CID 61297929
2-Methoxy-N-(piperidin-4-yl)acetamide
CID 16782129
N-(1-cyclopropylpiperidin-4-yl)-2-methoxybutanamide
CID 71936360
N-[1-(2-methoxyethyl)piperidin-4-yl]propanamide
CID 71784690
2-methoxy-2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 103019513
2-methoxy-2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 105735423
2-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 113374752
2-[(2-methylpropan-2-yl)oxy]-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 115949322
(2S)-3-amino-1-(4-fluoropiperidin-1-yl)-2-methoxypropan-1-one
CID 137956958

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-methoxy-2-methylpropan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-methoxy-2-methylpropan-1-one (CID 103017125) is 1-(4-aminopiperidin-1-yl)-2-methoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-methoxy-2-methylpropan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-methoxy-2-methylpropan-1-one is COC(C)(C)C(=O)N1CCC(N)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-methoxy-2-methylpropan-1-one?
The InChIKey is YQUHXXMHSIVYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,14-3)9(13)12-6-4-8(11)5-7-12/h8H,4-7,11H2,1-3H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-methoxy-2-methylpropan-1-one?
1-(4-aminopiperidin-1-yl)-2-methoxy-2-methylpropan-1-one has a molecular weight of 200.28 g/mol, XLogP of 0.36, 2 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-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 103017125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).