(2R)-2-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride

C16H27Cl2N3O2 — CID 119877596

IUPAC(2R)-2-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCOc1cccc(C(C)N2CCN(C(=O)[C@@H](C)N)CC2)c1.Cl.Cl
InChIInChI=1S/C16H25N3O2.2ClH/c1-12(17)16(20)19-9-7-18(8-10-19)13(2)14-5-4-6-15(11-14)21-3;;/h4-6,11-13H,7-10,17H2,1-3H3;2*1H/t12-,13?;;/m1../s1
InChIKeyLNAXINCYKSMQEY-DQOPGJMCSA-N
MW364.32 g/mol
LogP2.09
Rot. Bonds4

About (2R)-2-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride

(2R)-2-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride (PubChem CID 119877596) has the molecular formula C16H27Cl2N3O2 and a molecular weight of 364.32 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
PubChem CID119877596
Molecular FormulaC16H27Cl2N3O2
Molecular Weight364.32 g/mol
Exact Mass363.15
IUPAC Name(2R)-2-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCOc1cccc(C(C)N2CCN(C(=O)[C@@H](C)N)CC2)c1.Cl.Cl
InChIInChI=1S/C16H25N3O2.2ClH/c1-12(17)16(20)19-9-7-18(8-10-19)13(2)14-5-4-6-15(11-14)21-3;;/h4-6,11-13H,7-10,17H2,1-3H3;2*1H/t12-,13?;;/m1../s1
InChIKeyLNAXINCYKSMQEY-DQOPGJMCSA-N
XLogP2.09
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride with MolForge

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Related Compounds

3-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119877620
1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704346
(3-aminophenyl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119877606
[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119877616
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 120799990
3-(2-aminophenyl)-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one
CID 120612989
[4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
CID 99820617
(2R)-2-amino-1-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]propan-1-one
CID 120873129
(6-fluoro-3-pyridinyl)-[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 96568758
(2S)-2-[4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 95312026
2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 81372926
1-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine
CID 124606516

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of (2R)-2-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride (CID 119877596) is (2R)-2-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for (2R)-2-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride is COc1cccc(C(C)N2CCN(C(=O)[C@@H](C)N)CC2)c1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is LNAXINCYKSMQEY-DQOPGJMCSA-N. The full InChI is InChI=1S/C16H25N3O2.2ClH/c1-12(17)16(20)19-9-7-18(8-10-19)13(2)14-5-4-6-15(11-14)21-3;;/h4-6,11-13H,7-10,17H2,1-3H3;2*1H/t12-,13?;;/m1../s1.
What are the key properties of (2R)-2-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride?
(2R)-2-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 364.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 119877596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).