2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride

C17H27ClN2O — CID 120668146

IUPAC2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
SMILESCCC1(C)CCN(C(=O)C(N)c2ccc(C)cc2)CC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-4-17(3)9-11-19(12-10-17)16(20)15(18)14-7-5-13(2)6-8-14;/h5-8,15H,4,9-12,18H2,1-3H3;1H
InChIKeyATPDLQYRTGXBIZ-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.46
Rot. Bonds3

About 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride

2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride (PubChem CID 120668146) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
PubChem CID120668146
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
SMILESCCC1(C)CCN(C(=O)C(N)c2ccc(C)cc2)CC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-4-17(3)9-11-19(12-10-17)16(20)15(18)14-7-5-13(2)6-8-14;/h5-8,15H,4,9-12,18H2,1-3H3;1H
InChIKeyATPDLQYRTGXBIZ-UHFFFAOYSA-N
XLogP3.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-phenylethanone
CID 63160272
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 115290674
4-[2-amino-2-(4-methylphenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide
CID 120667255
2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029
2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120667469
2-amino-2-(4-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
CID 106151658
2-amino-1-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 166235966
2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668250
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668182
1-[2-amino-2-(4-methylphenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318151
1-(4-acetyl-1,4-diazepan-1-yl)-2-amino-2-(4-methylphenyl)ethanone
CID 106151021
2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 106312078

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride (CID 120668146) is 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride is CCC1(C)CCN(C(=O)C(N)c2ccc(C)cc2)CC1.Cl.
What is the InChIKey of 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride?
The InChIKey is ATPDLQYRTGXBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-4-17(3)9-11-19(12-10-17)16(20)15(18)14-7-5-13(2)6-8-14;/h5-8,15H,4,9-12,18H2,1-3H3;1H.
What are the key properties of 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride?
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.46, 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-(4-methylphenyl)ethanone;hydrochloride is sourced from PubChem (CID 120668146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).