1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]propan-1-one

C10H20N2O — CID 96581961

IUPAC1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC[C@H](N)[C@H](CC)C1
InChIInChI=1S/C10H20N2O/c1-3-8-7-12(10(13)4-2)6-5-9(8)11/h8-9H,3-7,11H2,1-2H3/t8-,9+/m1/s1
InChIKeyHYMWTTBEDLJRDM-BDAKNGLRSA-N
MW184.28 g/mol
LogP0.98
Rot. Bonds2

About 1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]propan-1-one

1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]propan-1-one (PubChem CID 96581961) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]propan-1-one
PubChem CID96581961
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC[C@H](N)[C@H](CC)C1
InChIInChI=1S/C10H20N2O/c1-3-8-7-12(10(13)4-2)6-5-9(8)11/h8-9H,3-7,11H2,1-2H3/t8-,9+/m1/s1
InChIKeyHYMWTTBEDLJRDM-BDAKNGLRSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-ethylpiperidine-1-carboxylic acid
CID 90001260
1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one
CID 96581965
1-[(3S,4R)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one
CID 96581968
1-(4-amino-3-ethylpiperidin-1-yl)prop-2-yn-1-one
CID 81456843
1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 90392056
4-amino-N,3-diethyl-N-methylpiperidine-1-carboxamide
CID 81456883
1-(4-amino-3-ethylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-one
CID 81458526
1-[4-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-one
CID 165476111
1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
CID 81458198
4-amino-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide
CID 81458117
2-(4-amino-3-ethylpiperidin-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 81459405
tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride
CID 127264231

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]propan-1-one (CID 96581961) is 1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]propan-1-one is CCC(=O)N1CC[C@H](N)[C@H](CC)C1.
What is the InChIKey of 1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]propan-1-one?
The InChIKey is HYMWTTBEDLJRDM-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-8-7-12(10(13)4-2)6-5-9(8)11/h8-9H,3-7,11H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of 1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]propan-1-one?
1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]propan-1-one has a molecular weight of 184.28 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 96581961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).