3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-2-methylbutan-1-one

C18H28N2O — CID 120502202

IUPAC3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-2-methylbutan-1-one
SMILESCCC1CN(C(=O)C(C)C(C)N)CCC1c1ccccc1
InChIInChI=1S/C18H28N2O/c1-4-15-12-20(18(21)13(2)14(3)19)11-10-17(15)16-8-6-5-7-9-16/h5-9,13-15,17H,4,10-12,19H2,1-3H3
InChIKeyTWGZHSWTMPSPQC-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.01
Rot. Bonds4

About 3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-2-methylbutan-1-one

3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-2-methylbutan-1-one (PubChem CID 120502202) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-2-methylbutan-1-one
PubChem CID120502202
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-2-methylbutan-1-one
SMILESCCC1CN(C(=O)C(C)C(C)N)CCC1c1ccccc1
InChIInChI=1S/C18H28N2O/c1-4-15-12-20(18(21)13(2)14(3)19)11-10-17(15)16-8-6-5-7-9-16/h5-9,13-15,17H,4,10-12,19H2,1-3H3
InChIKeyTWGZHSWTMPSPQC-UHFFFAOYSA-N
XLogP3.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119817662
3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)butan-1-one
CID 119817681
(2S)-2-[(3S,4S)-3-ethyl-4-phenylpiperidin-1-yl]propanoic acid
CID 124683616
1-(3-amino-4-phenylpiperidin-1-yl)butan-1-one
CID 165440593
2-[2-(3-ethyl-4-phenylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 71866626
1-[(3S,4S)-3-ethyl-4-phenylpiperidin-1-yl]-2-propylsulfonylethanone
CID 95935278
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-methylpentan-1-one
CID 120746565
3-amino-4-phenylpiperidine-1-carboxylic acid
CID 77267907
2-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]acetic acid
CID 129434571
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2,3-dimethylbutan-1-one
CID 120746721
1-(3-ethyl-4-phenylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 119817687
1-[4-(3-ethyl-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 166411061

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-2-methylbutan-1-one?
The IUPAC name of 3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-2-methylbutan-1-one (CID 120502202) is 3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-2-methylbutan-1-one.
What is the SMILES notation for 3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-2-methylbutan-1-one?
The canonical SMILES for 3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-2-methylbutan-1-one is CCC1CN(C(=O)C(C)C(C)N)CCC1c1ccccc1.
What is the InChIKey of 3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-2-methylbutan-1-one?
The InChIKey is TWGZHSWTMPSPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-15-12-20(18(21)13(2)14(3)19)11-10-17(15)16-8-6-5-7-9-16/h5-9,13-15,17H,4,10-12,19H2,1-3H3.
What are the key properties of 3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-2-methylbutan-1-one?
3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-2-methylbutan-1-one has a molecular weight of 288.44 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-2-methylbutan-1-one is sourced from PubChem (CID 120502202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).