2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-phenylethanone

C16H24N2O — CID 63160272

IUPAC2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-phenylethanone
SMILESCCC1(C)CCN(C(=O)C(N)c2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c1-3-16(2)9-11-18(12-10-16)15(19)14(17)13-7-5-4-6-8-13/h4-8,14H,3,9-12,17H2,1-2H3
InChIKeyZHYNFIQWYUSIBZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.73
Rot. Bonds3

About 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-phenylethanone

2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-phenylethanone (PubChem CID 63160272) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-phenylethanone
PubChem CID63160272
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-phenylethanone
SMILESCCC1(C)CCN(C(=O)C(N)c2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c1-3-16(2)9-11-18(12-10-16)15(19)14(17)13-7-5-4-6-8-13/h4-8,14H,3,9-12,17H2,1-2H3
InChIKeyZHYNFIQWYUSIBZ-UHFFFAOYSA-N
XLogP2.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668146
(2R)-2-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylethanone
CID 81102948
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 115290674
(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone
CID 22691647
8-[(2S)-2-amino-2-phenylacetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70762711
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-2-phenylethanone;hydrochloride
CID 119315120
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
(2S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-one
CID 63160186
2-amino-1-morpholin-4-yl-2-phenylethanone
CID 24701957
2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-phenylethanone
CID 119335411
(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-2-phenylethanone
CID 104897697

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-phenylethanone?
The IUPAC name of 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-phenylethanone (CID 63160272) is 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-phenylethanone.
What is the SMILES notation for 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-phenylethanone?
The canonical SMILES for 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-phenylethanone is CCC1(C)CCN(C(=O)C(N)c2ccccc2)CC1.
What is the InChIKey of 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-phenylethanone?
The InChIKey is ZHYNFIQWYUSIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-16(2)9-11-18(12-10-16)15(19)14(17)13-7-5-4-6-8-13/h4-8,14H,3,9-12,17H2,1-2H3.
What are the key properties of 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-phenylethanone?
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-phenylethanone has a molecular weight of 260.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-phenylethanone is sourced from PubChem (CID 63160272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).