2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylethanone;hydrochloride

C19H23ClN2O2 — CID 119290335

IUPAC2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylethanone;hydrochloride
SMILESCl.NC(C(=O)N1CCC(Oc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C19H22N2O2.ClH/c20-18(15-7-3-1-4-8-15)19(22)21-13-11-17(12-14-21)23-16-9-5-2-6-10-16;/h1-10,17-18H,11-14,20H2;1H
InChIKeyVXCCOHAUYYWVHX-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.18
Rot. Bonds4

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

2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylethanone;hydrochloride (PubChem CID 119290335) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylethanone;hydrochloride
PubChem CID119290335
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylethanone;hydrochloride
SMILESCl.NC(C(=O)N1CCC(Oc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C19H22N2O2.ClH/c20-18(15-7-3-1-4-8-15)19(22)21-13-11-17(12-14-21)23-16-9-5-2-6-10-16;/h1-10,17-18H,11-14,20H2;1H
InChIKeyVXCCOHAUYYWVHX-UHFFFAOYSA-N
XLogP3.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-2-phenylethanone
CID 61156075
2-amino-2-phenyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)ethanone
CID 119043365
(2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one
CID 79013212
(2S)-2-amino-2-phenyl-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone
CID 99852524
3-amino-2-methoxy-1-(4-phenoxypiperidin-1-yl)propan-1-one
CID 106111809
2-amino-2-phenyl-1-(4-phenylpiperidin-1-yl)ethanone
CID 119278410
1-(2-amino-2-phenylacetyl)piperidine-4-carboxamide
CID 24695590
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119843387
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
methyl 1-[(2R)-2-amino-2-phenylacetyl]piperidine-4-carboxylate
CID 61147926
(2S)-2-amino-4-methylsulfanyl-1-(4-phenoxypiperidin-1-yl)butan-1-one
CID 61177928

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylethanone;hydrochloride?
The IUPAC name of 2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylethanone;hydrochloride (CID 119290335) is 2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylethanone;hydrochloride?
The canonical SMILES for 2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylethanone;hydrochloride is Cl.NC(C(=O)N1CCC(Oc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylethanone;hydrochloride?
The InChIKey is VXCCOHAUYYWVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.ClH/c20-18(15-7-3-1-4-8-15)19(22)21-13-11-17(12-14-21)23-16-9-5-2-6-10-16;/h1-10,17-18H,11-14,20H2;1H.
What are the key properties of 2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylethanone;hydrochloride?
2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylethanone;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 3.18, 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-phenylethanone;hydrochloride is sourced from PubChem (CID 119290335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).