2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride

C17H27Cl2N3O — CID 119843387

IUPAC2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
SMILESCl.Cl.NC(C(=O)N1CCC(N2CCCC2)CC1)c1ccccc1
InChIInChI=1S/C17H25N3O.2ClH/c18-16(14-6-2-1-3-7-14)17(21)20-12-8-15(9-13-20)19-10-4-5-11-19;;/h1-3,6-7,15-16H,4-5,8-13,18H2;2*1H
InChIKeyBHLVUDIRDAHKFU-UHFFFAOYSA-N
MW360.33 g/mol
LogP2.62
Rot. Bonds3

About 2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride

2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride (PubChem CID 119843387) has the molecular formula C17H27Cl2N3O and a molecular weight of 360.33 g/mol. Its IUPAC name is 2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
PubChem CID119843387
Molecular FormulaC17H27Cl2N3O
Molecular Weight360.33 g/mol
Exact Mass359.15
IUPAC Name2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
SMILESCl.Cl.NC(C(=O)N1CCC(N2CCCC2)CC1)c1ccccc1
InChIInChI=1S/C17H25N3O.2ClH/c18-16(14-6-2-1-3-7-14)17(21)20-12-8-15(9-13-20)19-10-4-5-11-19;;/h1-3,6-7,15-16H,4-5,8-13,18H2;2*1H
InChIKeyBHLVUDIRDAHKFU-UHFFFAOYSA-N
XLogP2.62
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63166896
2-amino-2-phenyl-1-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119858252
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
1-(2-amino-2-phenylacetyl)piperidine-4-carboxamide
CID 24695590
2-amino-1-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-phenylethanone
CID 119887445
2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 46978264
2-amino-2-phenyl-1-(4-phenylpiperidin-1-yl)ethanone
CID 119278410
2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone;hydrochloride
CID 119290269
(2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 119842941
methyl 1-[(2R)-2-amino-2-phenylacetyl]piperidine-4-carboxylate
CID 61147926
2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 119290335

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride?
The IUPAC name of 2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride (CID 119843387) is 2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride.
What is the SMILES notation for 2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride?
The canonical SMILES for 2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride is Cl.Cl.NC(C(=O)N1CCC(N2CCCC2)CC1)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride?
The InChIKey is BHLVUDIRDAHKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.2ClH/c18-16(14-6-2-1-3-7-14)17(21)20-12-8-15(9-13-20)19-10-4-5-11-19;;/h1-3,6-7,15-16H,4-5,8-13,18H2;2*1H.
What are the key properties of 2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride?
2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride has a molecular weight of 360.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride is sourced from PubChem (CID 119843387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).