2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one

C16H22Cl2N2O2 — CID 75429800

IUPAC2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one
SMILESCCC(N)C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H22Cl2N2O2/c1-2-15(19)16(21)20-7-5-12(6-8-20)22-10-11-3-4-13(17)14(18)9-11/h3-4,9,12,15H,2,5-8,10,19H2,1H3
InChIKeyGMOCWLPIDHZCSL-UHFFFAOYSA-N
MW345.27 g/mol
LogP3.24
Rot. Bonds5

About 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one

2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one (PubChem CID 75429800) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one
PubChem CID75429800
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC Name2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one
SMILESCCC(N)C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H22Cl2N2O2/c1-2-15(19)16(21)20-7-5-12(6-8-20)22-10-11-3-4-13(17)14(18)9-11/h3-4,9,12,15H,2,5-8,10,19H2,1H3
InChIKeyGMOCWLPIDHZCSL-UHFFFAOYSA-N
XLogP3.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]butanamide;hydrochloride
CID 66975003
1-[[2-(3,4-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]methyl]-N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 138961883
2-(3,4-dichlorophenyl)-4-ethenyl-N-propyl-2,5-dihydrofuran-3-carboxamide
CID 57328630
2-(3,4-dichlorophenyl)-4-ethenyl-N-pentyl-2,5-dihydrofuran-3-carboxamide
CID 57328631
2-[4-[(3,4-Dichlorophenyl)methoxy]piperidin-1-yl]acetamide
CID 71918091
2-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-N-methylacetamide
CID 71969469
2-Amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one;hydrochloride
CID 75429799
1-[4-[(3,4-Dichlorophenyl)methoxy]piperidin-1-yl]-2-fluoro-2-methylpropan-1-one
CID 121583269
N-[(2R*,4S*,6R*)-2-(4-chlorophenyl)-6-isobutyltetrahydro-2H-pyran-4-yl]acetamide
CID 133138062
(5S)-5-[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one
CID 164630559
(3,4-dichlorophenyl)methyl (2S)-2-[(1-amino-5-fluoro-1,4-dioxopentan-3-yl)carbamoyl]piperidine-1-carboxylate
CID 10139568
(3,4-dichlorophenyl)methyl (2S)-2-[[5-fluoro-1-(4-methylpiperazin-1-yl)-1,4-dioxopentan-3-yl]carbamoyl]piperidine-1-carboxylate
CID 10143783

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one?
The IUPAC name of 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one (CID 75429800) is 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one?
The canonical SMILES for 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one is CCC(N)C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one?
The InChIKey is GMOCWLPIDHZCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2/c1-2-15(19)16(21)20-7-5-12(6-8-20)22-10-11-3-4-13(17)14(18)9-11/h3-4,9,12,15H,2,5-8,10,19H2,1H3.
What are the key properties of 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one?
2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one has a molecular weight of 345.27 g/mol, XLogP of 3.24, 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-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 75429800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).