2-(4-ethyl-2-methylpiperidin-3-yl)-1-phenylpropan-1-one;hydrochloride

C17H26ClNO — CID 170563483

IUPAC2-(4-ethyl-2-methylpiperidin-3-yl)-1-phenylpropan-1-one;hydrochloride
SMILESCCC1CCNC(C)C1C(C)C(=O)c1ccccc1.Cl
InChIInChI=1S/C17H25NO.ClH/c1-4-14-10-11-18-13(3)16(14)12(2)17(19)15-8-6-5-7-9-15;/h5-9,12-14,16,18H,4,10-11H2,1-3H3;1H
InChIKeyMCBACJGRPJFYOT-UHFFFAOYSA-N
MW295.85 g/mol
LogP3.95
Rot. Bonds4

About 2-(4-ethyl-2-methylpiperidin-3-yl)-1-phenylpropan-1-one;hydrochloride

2-(4-ethyl-2-methylpiperidin-3-yl)-1-phenylpropan-1-one;hydrochloride (PubChem CID 170563483) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 2-(4-ethyl-2-methylpiperidin-3-yl)-1-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(4-ethyl-2-methylpiperidin-3-yl)-1-phenylpropan-1-one;hydrochloride
PubChem CID170563483
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name2-(4-ethyl-2-methylpiperidin-3-yl)-1-phenylpropan-1-one;hydrochloride
SMILESCCC1CCNC(C)C1C(C)C(=O)c1ccccc1.Cl
InChIInChI=1S/C17H25NO.ClH/c1-4-14-10-11-18-13(3)16(14)12(2)17(19)15-8-6-5-7-9-15;/h5-9,12-14,16,18H,4,10-11H2,1-3H3;1H
InChIKeyMCBACJGRPJFYOT-UHFFFAOYSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-methylpiperidin-3-yl)-1-phenylpropan-1-one;hydrochloride?
The IUPAC name of 2-(4-ethyl-2-methylpiperidin-3-yl)-1-phenylpropan-1-one;hydrochloride (CID 170563483) is 2-(4-ethyl-2-methylpiperidin-3-yl)-1-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-(4-ethyl-2-methylpiperidin-3-yl)-1-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 2-(4-ethyl-2-methylpiperidin-3-yl)-1-phenylpropan-1-one;hydrochloride is CCC1CCNC(C)C1C(C)C(=O)c1ccccc1.Cl.
What is the InChIKey of 2-(4-ethyl-2-methylpiperidin-3-yl)-1-phenylpropan-1-one;hydrochloride?
The InChIKey is MCBACJGRPJFYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO.ClH/c1-4-14-10-11-18-13(3)16(14)12(2)17(19)15-8-6-5-7-9-15;/h5-9,12-14,16,18H,4,10-11H2,1-3H3;1H.
What are the key properties of 2-(4-ethyl-2-methylpiperidin-3-yl)-1-phenylpropan-1-one;hydrochloride?
2-(4-ethyl-2-methylpiperidin-3-yl)-1-phenylpropan-1-one;hydrochloride has a molecular weight of 295.85 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-methylpiperidin-3-yl)-1-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 170563483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).