1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethylpropan-1-one

C14H28N2O — CID 171445163

IUPAC1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethylpropan-1-one
SMILESCN(C)CCN1CCC(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-14(2,3)13(17)12-6-8-16(9-7-12)11-10-15(4)5/h12H,6-11H2,1-5H3
InChIKeyVOVAMPAKWVMDGH-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds4

About 1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethylpropan-1-one

1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethylpropan-1-one (PubChem CID 171445163) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethylpropan-1-one
PubChem CID171445163
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethylpropan-1-one
SMILESCN(C)CCN1CCC(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-14(2,3)13(17)12-6-8-16(9-7-12)11-10-15(4)5/h12H,6-11H2,1-5H3
InChIKeyVOVAMPAKWVMDGH-UHFFFAOYSA-N
XLogP1.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethylpropan-1-one (CID 171445163) is 1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethylpropan-1-one is CN(C)CCN1CCC(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethylpropan-1-one?
The InChIKey is VOVAMPAKWVMDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(2,3)13(17)12-6-8-16(9-7-12)11-10-15(4)5/h12H,6-11H2,1-5H3.
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethylpropan-1-one?
1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethylpropan-1-one has a molecular weight of 240.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 171445163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).