3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-phenylpropan-1-one

C17H26N2O — CID 119951631

IUPAC3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-phenylpropan-1-one
SMILESCCC1(C)CCCN(C(=O)CC(N)c2ccccc2)C1
InChIInChI=1S/C17H26N2O/c1-3-17(2)10-7-11-19(13-17)16(20)12-15(18)14-8-5-4-6-9-14/h4-6,8-9,15H,3,7,10-13,18H2,1-2H3
InChIKeyMWBRRCPSPBUACQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.12
Rot. Bonds4

About 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-phenylpropan-1-one

3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-phenylpropan-1-one (PubChem CID 119951631) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-phenylpropan-1-one
PubChem CID119951631
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-phenylpropan-1-one
SMILESCCC1(C)CCCN(C(=O)CC(N)c2ccccc2)C1
InChIInChI=1S/C17H26N2O/c1-3-17(2)10-7-11-19(13-17)16(20)12-15(18)14-8-5-4-6-9-14/h4-6,8-9,15H,3,7,10-13,18H2,1-2H3
InChIKeyMWBRRCPSPBUACQ-UHFFFAOYSA-N
XLogP3.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-phenylpropan-1-one?
The IUPAC name of 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-phenylpropan-1-one (CID 119951631) is 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-phenylpropan-1-one is CCC1(C)CCCN(C(=O)CC(N)c2ccccc2)C1.
What is the InChIKey of 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-phenylpropan-1-one?
The InChIKey is MWBRRCPSPBUACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-17(2)10-7-11-19(13-17)16(20)12-15(18)14-8-5-4-6-9-14/h4-6,8-9,15H,3,7,10-13,18H2,1-2H3.
What are the key properties of 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-phenylpropan-1-one?
3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-phenylpropan-1-one has a molecular weight of 274.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 119951631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).