2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]-2-phenylpropan-1-one

C19H31N3O — CID 120595489

IUPAC2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]-2-phenylpropan-1-one
SMILESCCN(CC)CC1CCN(C(=O)C(C)(N)c2ccccc2)CC1
InChIInChI=1S/C19H31N3O/c1-4-21(5-2)15-16-11-13-22(14-12-16)18(23)19(3,20)17-9-7-6-8-10-17/h6-10,16H,4-5,11-15,20H2,1-3H3
InChIKeyGOIBVZHGSZYGQJ-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.44
Rot. Bonds6

About 2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]-2-phenylpropan-1-one

2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]-2-phenylpropan-1-one (PubChem CID 120595489) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]-2-phenylpropan-1-one
PubChem CID120595489
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]-2-phenylpropan-1-one
SMILESCCN(CC)CC1CCN(C(=O)C(C)(N)c2ccccc2)CC1
InChIInChI=1S/C19H31N3O/c1-4-21(5-2)15-16-11-13-22(14-12-16)18(23)19(3,20)17-9-7-6-8-10-17/h6-10,16H,4-5,11-15,20H2,1-3H3
InChIKeyGOIBVZHGSZYGQJ-UHFFFAOYSA-N
XLogP2.44
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 122080376
N-[1-(2-amino-2-phenylpropanoyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
CID 120590583
2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 120593719
2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride
CID 120591375
2-amino-1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-phenylpropan-1-one;hydrochloride
CID 120592459
2-amino-2-phenyl-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one
CID 120587581
2-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120588428
2-amino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylpropan-1-one
CID 82015374
1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63031396
2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 120589033
2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 120588873
2-amino-1-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-one
CID 120595139

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of 2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]-2-phenylpropan-1-one (CID 120595489) is 2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]-2-phenylpropan-1-one is CCN(CC)CC1CCN(C(=O)C(C)(N)c2ccccc2)CC1.
What is the InChIKey of 2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]-2-phenylpropan-1-one?
The InChIKey is GOIBVZHGSZYGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-4-21(5-2)15-16-11-13-22(14-12-16)18(23)19(3,20)17-9-7-6-8-10-17/h6-10,16H,4-5,11-15,20H2,1-3H3.
What are the key properties of 2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]-2-phenylpropan-1-one?
2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]-2-phenylpropan-1-one has a molecular weight of 317.48 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 120595489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).