2-amino-1-piperidin-1-ylethanone;methanol

C8H18N2O2 — CID 142937104

IUPAC2-amino-1-piperidin-1-ylethanone;methanol
SMILESCO.NCC(=O)N1CCCCC1
InChIInChI=1S/C7H14N2O.CH4O/c8-6-7(10)9-4-2-1-3-5-9;1-2/h1-6,8H2;2H,1H3
InChIKeyVPDKLFKTVBZSPN-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.43
Rot. Bonds1

About 2-amino-1-piperidin-1-ylethanone;methanol

2-amino-1-piperidin-1-ylethanone;methanol (PubChem CID 142937104) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-amino-1-piperidin-1-ylethanone;methanol.

Molecular Properties

Compound Name2-amino-1-piperidin-1-ylethanone;methanol
PubChem CID142937104
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name2-amino-1-piperidin-1-ylethanone;methanol
SMILESCO.NCC(=O)N1CCCCC1
InChIInChI=1S/C7H14N2O.CH4O/c8-6-7(10)9-4-2-1-3-5-9;1-2/h1-6,8H2;2H,1H3
InChIKeyVPDKLFKTVBZSPN-UHFFFAOYSA-N
XLogP-0.43
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone
CID 119876027
1-(azepan-1-yl)propan-1-one
CID 3613534
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
2-amino-1-(1,4-thiazepan-4-yl)ethanone
CID 61419104
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
1,3-bis(azepan-1-yl)propane-1,3-dione
CID 108952660
methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one
CID 158630764
2-amino-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethanone
CID 68733933
1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
CID 119313911
(3R)-3-amino-1-piperidin-1-ylbutan-1-one
CID 59102647
2-amino-1-(4,4-dimethylpiperidin-1-yl)ethanone;ethane
CID 142306561
2-amino-1-(4-benzylpiperazin-1-yl)ethanone;2-amino-1-piperidin-1-ylethanone
CID 143109994

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-piperidin-1-ylethanone;methanol?
The IUPAC name of 2-amino-1-piperidin-1-ylethanone;methanol (CID 142937104) is 2-amino-1-piperidin-1-ylethanone;methanol.
What is the SMILES notation for 2-amino-1-piperidin-1-ylethanone;methanol?
The canonical SMILES for 2-amino-1-piperidin-1-ylethanone;methanol is CO.NCC(=O)N1CCCCC1.
What is the InChIKey of 2-amino-1-piperidin-1-ylethanone;methanol?
The InChIKey is VPDKLFKTVBZSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.CH4O/c8-6-7(10)9-4-2-1-3-5-9;1-2/h1-6,8H2;2H,1H3.
What are the key properties of 2-amino-1-piperidin-1-ylethanone;methanol?
2-amino-1-piperidin-1-ylethanone;methanol has a molecular weight of 174.24 g/mol, XLogP of -0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-piperidin-1-ylethanone;methanol is sourced from PubChem (CID 142937104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).