1-(4-amino-3-ethylpiperidin-1-yl)prop-2-yn-1-one

C10H16N2O — CID 81456843

IUPAC1-(4-amino-3-ethylpiperidin-1-yl)prop-2-yn-1-one
SMILESC#CC(=O)N1CCC(N)C(CC)C1
InChIInChI=1S/C10H16N2O/c1-3-8-7-12(10(13)4-2)6-5-9(8)11/h2,8-9H,3,5-7,11H2,1H3
InChIKeyZPHHYPMWWGWBMK-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.21
Rot. Bonds1

About 1-(4-amino-3-ethylpiperidin-1-yl)prop-2-yn-1-one

1-(4-amino-3-ethylpiperidin-1-yl)prop-2-yn-1-one (PubChem CID 81456843) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(4-amino-3-ethylpiperidin-1-yl)prop-2-yn-1-one.

Molecular Properties

Compound Name1-(4-amino-3-ethylpiperidin-1-yl)prop-2-yn-1-one
PubChem CID81456843
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-(4-amino-3-ethylpiperidin-1-yl)prop-2-yn-1-one
SMILESC#CC(=O)N1CCC(N)C(CC)C1
InChIInChI=1S/C10H16N2O/c1-3-8-7-12(10(13)4-2)6-5-9(8)11/h2,8-9H,3,5-7,11H2,1H3
InChIKeyZPHHYPMWWGWBMK-UHFFFAOYSA-N
XLogP0.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-ethylpiperidine-1-carboxylic acid
CID 90001260
1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]propan-1-one
CID 96581961
1-[(3S,4R)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one
CID 96581968
1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one
CID 96581965
4-amino-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide
CID 81458117
4-amino-N,3-diethyl-N-methylpiperidine-1-carboxamide
CID 81456883
tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride
CID 127264231
(3-amino-4-ethylpiperidin-1-yl)-cyclopropylmethanone
CID 165441018
1-(4-methylpiperidin-1-yl)prop-2-yn-1-one
CID 126997659
1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
CID 81458198
2-(4-amino-3-ethylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 81459438
2-(4-amino-3-ethylpiperidin-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 81459405

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-ethylpiperidin-1-yl)prop-2-yn-1-one?
The IUPAC name of 1-(4-amino-3-ethylpiperidin-1-yl)prop-2-yn-1-one (CID 81456843) is 1-(4-amino-3-ethylpiperidin-1-yl)prop-2-yn-1-one.
What is the SMILES notation for 1-(4-amino-3-ethylpiperidin-1-yl)prop-2-yn-1-one?
The canonical SMILES for 1-(4-amino-3-ethylpiperidin-1-yl)prop-2-yn-1-one is C#CC(=O)N1CCC(N)C(CC)C1.
What is the InChIKey of 1-(4-amino-3-ethylpiperidin-1-yl)prop-2-yn-1-one?
The InChIKey is ZPHHYPMWWGWBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-8-7-12(10(13)4-2)6-5-9(8)11/h2,8-9H,3,5-7,11H2,1H3.
What are the key properties of 1-(4-amino-3-ethylpiperidin-1-yl)prop-2-yn-1-one?
1-(4-amino-3-ethylpiperidin-1-yl)prop-2-yn-1-one has a molecular weight of 180.25 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-ethylpiperidin-1-yl)prop-2-yn-1-one is sourced from PubChem (CID 81456843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).