2-(ethylamino)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one

C12H24N2O2 — CID 62833921

IUPAC2-(ethylamino)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)N1CCC(CO)CC1
InChIInChI=1S/C12H24N2O2/c1-4-13-12(2,3)11(16)14-7-5-10(9-15)6-8-14/h10,13,15H,4-9H2,1-3H3
InChIKeyKJXKSQHMESUXOA-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.61
Rot. Bonds4

About 2-(ethylamino)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one

2-(ethylamino)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 62833921) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(ethylamino)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(ethylamino)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID62833921
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(ethylamino)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)N1CCC(CO)CC1
InChIInChI=1S/C12H24N2O2/c1-4-13-12(2,3)11(16)14-7-5-10(9-15)6-8-14/h10,13,15H,4-9H2,1-3H3
InChIKeyKJXKSQHMESUXOA-UHFFFAOYSA-N
XLogP0.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-2-methyl-1-(4-methylazepan-1-yl)propan-1-one
CID 63626151
1-(4-benzylpiperidin-1-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 62833273
2-(ethylamino)-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one
CID 62941929
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one
CID 62836073
1-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 62931262
3-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 82821924
2-(ethylamino)-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79170525
N-[1-[2-(ethylamino)-2-methylpropanoyl]piperidin-4-yl]-2-methoxyacetamide
CID 62836448
N-butyl-1-[2-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxamide
CID 62835323
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(ethylamino)-2-methylpropan-1-one
CID 107220750
2,2,2-trifluoro-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 10330779
2-(ethylamino)-2-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63167293

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-(ethylamino)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one (CID 62833921) is 2-(ethylamino)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-(ethylamino)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-(ethylamino)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one is CCNC(C)(C)C(=O)N1CCC(CO)CC1.
What is the InChIKey of 2-(ethylamino)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is KJXKSQHMESUXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-13-12(2,3)11(16)14-7-5-10(9-15)6-8-14/h10,13,15H,4-9H2,1-3H3.
What are the key properties of 2-(ethylamino)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one?
2-(ethylamino)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 62833921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).