(2S)-2-amino-1-(3,3-diphenylpiperidin-1-yl)propan-1-one;hydrochloride

C20H25ClN2O — CID 154900068

IUPAC(2S)-2-amino-1-(3,3-diphenylpiperidin-1-yl)propan-1-one;hydrochloride
SMILESC[C@H](N)C(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1.Cl
InChIInChI=1S/C20H24N2O.ClH/c1-16(21)19(23)22-14-8-13-20(15-22,17-9-4-2-5-10-17)18-11-6-3-7-12-18;/h2-7,9-12,16H,8,13-15,21H2,1H3;1H/t16-;/m0./s1
InChIKeyFXPBZHAZWBZZQG-NTISSMGPSA-N
MW344.89 g/mol
LogP3.36
Rot. Bonds3

About (2S)-2-amino-1-(3,3-diphenylpiperidin-1-yl)propan-1-one;hydrochloride

(2S)-2-amino-1-(3,3-diphenylpiperidin-1-yl)propan-1-one;hydrochloride (PubChem CID 154900068) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is (2S)-2-amino-1-(3,3-diphenylpiperidin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-(3,3-diphenylpiperidin-1-yl)propan-1-one;hydrochloride
PubChem CID154900068
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name(2S)-2-amino-1-(3,3-diphenylpiperidin-1-yl)propan-1-one;hydrochloride
SMILESC[C@H](N)C(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1.Cl
InChIInChI=1S/C20H24N2O.ClH/c1-16(21)19(23)22-14-8-13-20(15-22,17-9-4-2-5-10-17)18-11-6-3-7-12-18;/h2-7,9-12,16H,8,13-15,21H2,1H3;1H/t16-;/m0./s1
InChIKeyFXPBZHAZWBZZQG-NTISSMGPSA-N
XLogP3.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(3,3-diphenylpiperidin-1-yl)-2-hydroxypropan-1-one
CID 97270691
N-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-2-methylpropanamide
CID 72841382
2-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120989835
(2R)-2-amino-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one;hydrochloride
CID 119338501
2-amino-1-(3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119295543
(3S)-3-amino-1-(2-aminopropanoyl)piperidine-3-carboxylic acid
CID 167074767
(2S)-2-amino-1-(4-benzoyl-1,4-diazepan-1-yl)propan-1-one;hydrochloride
CID 119291825
2-methyl-3-(methylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 119786972
(3,3-diphenylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 72872127
(2R)-2-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119339754
(3,3-diphenylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 154900279
2-amino-1-(3-methyl-3-phenylpiperidin-1-yl)-4-methylsulfonylbutan-1-one
CID 102560456

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(3,3-diphenylpiperidin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-(3,3-diphenylpiperidin-1-yl)propan-1-one;hydrochloride (CID 154900068) is (2S)-2-amino-1-(3,3-diphenylpiperidin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-(3,3-diphenylpiperidin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-(3,3-diphenylpiperidin-1-yl)propan-1-one;hydrochloride is C[C@H](N)C(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1.Cl.
What is the InChIKey of (2S)-2-amino-1-(3,3-diphenylpiperidin-1-yl)propan-1-one;hydrochloride?
The InChIKey is FXPBZHAZWBZZQG-NTISSMGPSA-N. The full InChI is InChI=1S/C20H24N2O.ClH/c1-16(21)19(23)22-14-8-13-20(15-22,17-9-4-2-5-10-17)18-11-6-3-7-12-18;/h2-7,9-12,16H,8,13-15,21H2,1H3;1H/t16-;/m0./s1.
What are the key properties of (2S)-2-amino-1-(3,3-diphenylpiperidin-1-yl)propan-1-one;hydrochloride?
(2S)-2-amino-1-(3,3-diphenylpiperidin-1-yl)propan-1-one;hydrochloride has a molecular weight of 344.89 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(3,3-diphenylpiperidin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 154900068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).