(2S)-2-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride

C19H31ClN2O — CID 119817662

IUPAC(2S)-2-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
SMILESCCC1CN(C(=O)[C@@H](N)C(C)(C)C)CCC1c1ccccc1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-5-14-13-21(18(22)17(20)19(2,3)4)12-11-16(14)15-9-7-6-8-10-15;/h6-10,14,16-17H,5,11-13,20H2,1-4H3;1H/t14?,16?,17-;/m1./s1
InChIKeyPTACVFAMHJQIPO-BGKPDAJOSA-N
MW338.92 g/mol
LogP3.82
Rot. Bonds3

About (2S)-2-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride

(2S)-2-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride (PubChem CID 119817662) has the molecular formula C19H31ClN2O and a molecular weight of 338.92 g/mol. Its IUPAC name is (2S)-2-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
PubChem CID119817662
Molecular FormulaC19H31ClN2O
Molecular Weight338.92 g/mol
Exact Mass338.21
IUPAC Name(2S)-2-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
SMILESCCC1CN(C(=O)[C@@H](N)C(C)(C)C)CCC1c1ccccc1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-5-14-13-21(18(22)17(20)19(2,3)4)12-11-16(14)15-9-7-6-8-10-15;/h6-10,14,16-17H,5,11-13,20H2,1-4H3;1H/t14?,16?,17-;/m1./s1
InChIKeyPTACVFAMHJQIPO-BGKPDAJOSA-N
XLogP3.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.92
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride with MolForge

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Related Compounds

3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-2-methylbutan-1-one
CID 120502202
3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)butan-1-one
CID 119817681
2-[2-(3-ethyl-4-phenylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 71866626
(2S)-2-amino-1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119671897
(2S)-2-amino-3,3-dimethyl-1-[4-(N-methylanilino)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119900202
(2S)-2-[(3S,4S)-3-ethyl-4-phenylpiperidin-1-yl]propanoic acid
CID 124683616
(2R)-2-amino-1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 103928446
[4-(aminomethyl)oxan-4-yl]-(3-ethyl-4-phenylpiperidin-1-yl)methanone;hydrochloride
CID 120936915
2-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]acetic acid
CID 129434571
1-[(3S,4S)-3-ethyl-4-phenylpiperidin-1-yl]-2-propylsulfonylethanone
CID 95935278
1-(3-ethyl-4-phenylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 119817687
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-ethyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride
CID 119817666

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride (CID 119817662) is (2S)-2-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride is CCC1CN(C(=O)[C@@H](N)C(C)(C)C)CCC1c1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride?
The InChIKey is PTACVFAMHJQIPO-BGKPDAJOSA-N. The full InChI is InChI=1S/C19H30N2O.ClH/c1-5-14-13-21(18(22)17(20)19(2,3)4)12-11-16(14)15-9-7-6-8-10-15;/h6-10,14,16-17H,5,11-13,20H2,1-4H3;1H/t14?,16?,17-;/m1./s1.
What are the key properties of (2S)-2-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride?
(2S)-2-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride has a molecular weight of 338.92 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride is sourced from PubChem (CID 119817662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).