(2S)-2-amino-1-(4-ethenylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride

C16H23ClN2O — CID 119323399

IUPAC(2S)-2-amino-1-(4-ethenylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
SMILESC=CC1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-2-13-8-10-18(11-9-13)16(19)15(17)12-14-6-4-3-5-7-14;/h2-7,13,15H,1,8-12,17H2;1H/t15-;/m0./s1
InChIKeyPDYHOZBVJXPOML-RSAXXLAASA-N
MW294.83 g/mol
LogP2.40
Rot. Bonds4

About (2S)-2-amino-1-(4-ethenylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride

(2S)-2-amino-1-(4-ethenylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride (PubChem CID 119323399) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is (2S)-2-amino-1-(4-ethenylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-(4-ethenylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
PubChem CID119323399
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name(2S)-2-amino-1-(4-ethenylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
SMILESC=CC1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-2-13-8-10-18(11-9-13)16(19)15(17)12-14-6-4-3-5-7-14;/h2-7,13,15H,1,8-12,17H2;1H/t15-;/m0./s1
InChIKeyPDYHOZBVJXPOML-RSAXXLAASA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119303310
2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 60962563
2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119276181
1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonitrile
CID 57253914
N-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119275880
(2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 119842941
1-(2-amino-3-phenylpropanoyl)-N-phenylpiperidine-4-carboxamide;hydrochloride
CID 119272890
(2S)-2-amino-1-(4-cyclobutylpiperazin-1-yl)-3-phenylpropan-1-one
CID 119887152
2-amino-1-(3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 22610288
(2S)-2-amino-1-(4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
CID 88677274
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(4-ethenylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-(4-ethenylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride (CID 119323399) is (2S)-2-amino-1-(4-ethenylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-(4-ethenylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-(4-ethenylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride is C=CC1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1.Cl.
What is the InChIKey of (2S)-2-amino-1-(4-ethenylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride?
The InChIKey is PDYHOZBVJXPOML-RSAXXLAASA-N. The full InChI is InChI=1S/C16H22N2O.ClH/c1-2-13-8-10-18(11-9-13)16(19)15(17)12-14-6-4-3-5-7-14;/h2-7,13,15H,1,8-12,17H2;1H/t15-;/m0./s1.
What are the key properties of (2S)-2-amino-1-(4-ethenylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride?
(2S)-2-amino-1-(4-ethenylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(4-ethenylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 119323399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).