2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one;hydrochloride

C14H21ClN2O — CID 24761491

IUPAC2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one;hydrochloride
SMILESCl.NC(Cc1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C14H20N2O.ClH/c15-13(11-12-7-3-1-4-8-12)14(17)16-9-5-2-6-10-16;/h1,3-4,7-8,13H,2,5-6,9-11,15H2;1H
InChIKeyFSXJYWJPMIXXGR-UHFFFAOYSA-N
MW268.79 g/mol
LogP1.99
Rot. Bonds3

About 2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one;hydrochloride

2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one;hydrochloride (PubChem CID 24761491) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one;hydrochloride
PubChem CID24761491
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one;hydrochloride
SMILESCl.NC(Cc1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C14H20N2O.ClH/c15-13(11-12-7-3-1-4-8-12)14(17)16-9-5-2-6-10-16;/h1,3-4,7-8,13H,2,5-6,9-11,15H2;1H
InChIKeyFSXJYWJPMIXXGR-UHFFFAOYSA-N
XLogP1.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one;hydrochloride (CID 24761491) is 2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one;hydrochloride is Cl.NC(Cc1ccccc1)C(=O)N1CCCCC1.
What is the InChIKey of 2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one;hydrochloride?
The InChIKey is FSXJYWJPMIXXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c15-13(11-12-7-3-1-4-8-12)14(17)16-9-5-2-6-10-16;/h1,3-4,7-8,13H,2,5-6,9-11,15H2;1H.
What are the key properties of 2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one;hydrochloride?
2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 24761491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).