2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride

C20H25ClN2O2 — CID 120589033

IUPAC2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride
SMILESCC(N)(C(=O)N1CCC(Oc2ccccc2)CC1)c1ccccc1.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-20(21,16-8-4-2-5-9-16)19(23)22-14-12-18(13-15-22)24-17-10-6-3-7-11-17;/h2-11,18H,12-15,21H2,1H3;1H
InChIKeyFHMWLTWDAJGDCN-UHFFFAOYSA-N
MW360.88 g/mol
LogP3.35
Rot. Bonds4

About 2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride

2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride (PubChem CID 120589033) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.88 g/mol. Its IUPAC name is 2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride
PubChem CID120589033
Molecular FormulaC20H25ClN2O2
Molecular Weight360.88 g/mol
Exact Mass360.16
IUPAC Name2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride
SMILESCC(N)(C(=O)N1CCC(Oc2ccccc2)CC1)c1ccccc1.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-20(21,16-8-4-2-5-9-16)19(23)22-14-12-18(13-15-22)24-17-10-6-3-7-11-17;/h2-11,18H,12-15,21H2,1H3;1H
InChIKeyFHMWLTWDAJGDCN-UHFFFAOYSA-N
XLogP3.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.88
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-phenyl-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one
CID 120587581
2-amino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylpropan-1-one
CID 82015374
N-[1-(2-amino-2-phenylpropanoyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
CID 120590583
2-amino-1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 122080376
1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63031396
(4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725091
(1-aminocyclopropyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725071
1-[4-(4-aminophenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 144986405
2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride
CID 120591375
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
2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one
CID 102957634

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride (CID 120589033) is 2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride is CC(N)(C(=O)N1CCC(Oc2ccccc2)CC1)c1ccccc1.Cl.
What is the InChIKey of 2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride?
The InChIKey is FHMWLTWDAJGDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.ClH/c1-20(21,16-8-4-2-5-9-16)19(23)22-14-12-18(13-15-22)24-17-10-6-3-7-11-17;/h2-11,18H,12-15,21H2,1H3;1H.
What are the key properties of 2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride?
2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride has a molecular weight of 360.88 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 120589033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).