1-(4-amino-2-methylpiperidin-1-yl)-2-phenylpropan-1-one

C15H22N2O — CID 114028861

IUPAC1-(4-amino-2-methylpiperidin-1-yl)-2-phenylpropan-1-one
SMILESCC(C(=O)N1CCC(N)CC1C)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-11-10-14(16)8-9-17(11)15(18)12(2)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10,16H2,1-2H3
InChIKeyKGDJCEVBVRHYHV-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.13
Rot. Bonds2

About 1-(4-amino-2-methylpiperidin-1-yl)-2-phenylpropan-1-one

1-(4-amino-2-methylpiperidin-1-yl)-2-phenylpropan-1-one (PubChem CID 114028861) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(4-amino-2-methylpiperidin-1-yl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-(4-amino-2-methylpiperidin-1-yl)-2-phenylpropan-1-one
PubChem CID114028861
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(4-amino-2-methylpiperidin-1-yl)-2-phenylpropan-1-one
SMILESCC(C(=O)N1CCC(N)CC1C)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-11-10-14(16)8-9-17(11)15(18)12(2)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10,16H2,1-2H3
InChIKeyKGDJCEVBVRHYHV-UHFFFAOYSA-N
XLogP2.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methylpiperidin-1-yl)-2-phenylpropan-1-one?
The IUPAC name of 1-(4-amino-2-methylpiperidin-1-yl)-2-phenylpropan-1-one (CID 114028861) is 1-(4-amino-2-methylpiperidin-1-yl)-2-phenylpropan-1-one.
What is the SMILES notation for 1-(4-amino-2-methylpiperidin-1-yl)-2-phenylpropan-1-one?
The canonical SMILES for 1-(4-amino-2-methylpiperidin-1-yl)-2-phenylpropan-1-one is CC(C(=O)N1CCC(N)CC1C)c1ccccc1.
What is the InChIKey of 1-(4-amino-2-methylpiperidin-1-yl)-2-phenylpropan-1-one?
The InChIKey is KGDJCEVBVRHYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-10-14(16)8-9-17(11)15(18)12(2)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10,16H2,1-2H3.
What are the key properties of 1-(4-amino-2-methylpiperidin-1-yl)-2-phenylpropan-1-one?
1-(4-amino-2-methylpiperidin-1-yl)-2-phenylpropan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methylpiperidin-1-yl)-2-phenylpropan-1-one is sourced from PubChem (CID 114028861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).