2-amino-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride

C16H27Cl2N3O — CID 23285133

IUPAC2-amino-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
SMILESCN(CCc1ccccc1)C1CCN(C(=O)CN)CC1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-18(10-7-14-5-3-2-4-6-14)15-8-11-19(12-9-15)16(20)13-17;;/h2-6,15H,7-13,17H2,1H3;2*1H
InChIKeyBGLRXGDLIODVGD-UHFFFAOYSA-N
MW348.32 g/mol
LogP1.95
Rot. Bonds5

About 2-amino-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride

2-amino-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride (PubChem CID 23285133) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is 2-amino-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
PubChem CID23285133
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC Name2-amino-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
SMILESCN(CCc1ccccc1)C1CCN(C(=O)CN)CC1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-18(10-7-14-5-3-2-4-6-14)15-8-11-19(12-9-15)16(20)13-17;;/h2-6,15H,7-13,17H2,1H3;2*1H
InChIKeyBGLRXGDLIODVGD-UHFFFAOYSA-N
XLogP1.95
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
CID 23285051
1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-2-methylsulfanylethanone
CID 45175382
[4-(4-hydroxyphenyl)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 23284910
(4-amino-2-chlorophenyl)-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone;oxalic acid
CID 23284988
1,1,3-trimethyl-3-[4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride
CID 23285019
benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate
CID 66566688
1-tert-butyl-1-[4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride
CID 70103958
2-amino-1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone
CID 66567107
5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 23284933
1-[4-[benzyl(methyl)amino]piperidin-1-yl]-2-chloroethanone
CID 66567050
[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 23284984
[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(6-pyrrol-1-yl-3-pyridinyl)methanone
CID 23285008

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-amino-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride (CID 23285133) is 2-amino-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-amino-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-amino-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride is CN(CCc1ccccc1)C1CCN(C(=O)CN)CC1.Cl.Cl.
What is the InChIKey of 2-amino-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride?
The InChIKey is BGLRXGDLIODVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-18(10-7-14-5-3-2-4-6-14)15-8-11-19(12-9-15)16(20)13-17;;/h2-6,15H,7-13,17H2,1H3;2*1H.
What are the key properties of 2-amino-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride?
2-amino-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 23285133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).