2-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one

C13H27N3O — CID 61264863

IUPAC2-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one
SMILESCCN(CC)C1CCN(C(=O)C(C)(C)N)CC1
InChIInChI=1S/C13H27N3O/c1-5-15(6-2)11-7-9-16(10-8-11)12(17)13(3,4)14/h11H,5-10,14H2,1-4H3
InChIKeyYZWAZXQNLHKKHK-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.06
Rot. Bonds4

About 2-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one

2-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 61264863) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID61264863
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one
SMILESCCN(CC)C1CCN(C(=O)C(C)(C)N)CC1
InChIInChI=1S/C13H27N3O/c1-5-15(6-2)11-7-9-16(10-8-11)12(17)13(3,4)14/h11H,5-10,14H2,1-4H3
InChIKeyYZWAZXQNLHKKHK-UHFFFAOYSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one (CID 61264863) is 2-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one is CCN(CC)C1CCN(C(=O)C(C)(C)N)CC1.
What is the InChIKey of 2-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is YZWAZXQNLHKKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-5-15(6-2)11-7-9-16(10-8-11)12(17)13(3,4)14/h11H,5-10,14H2,1-4H3.
What are the key properties of 2-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one?
2-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 241.38 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 61264863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).