1-ethylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)acetamide

C16H34N4O — CID 157486755

IUPAC1-ethylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(N)CC1.CCN1CCC(NC(C)=O)CC1
InChIInChI=1S/C9H18N2O.C7H16N2/c1-3-11-6-4-9(5-7-11)10-8(2)12;1-2-9-5-3-7(8)4-6-9/h9H,3-7H2,1-2H3,(H,10,12);7H,2-6,8H2,1H3
InChIKeyBWUPORWDXLFIAB-UHFFFAOYSA-N
MW298.47 g/mol
LogP1.04
Rot. Bonds3

About 1-ethylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)acetamide

1-ethylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)acetamide (PubChem CID 157486755) has the molecular formula C16H34N4O and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-ethylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name1-ethylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)acetamide
PubChem CID157486755
Molecular FormulaC16H34N4O
Molecular Weight298.47 g/mol
Exact Mass298.27
IUPAC Name1-ethylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(N)CC1.CCN1CCC(NC(C)=O)CC1
InChIInChI=1S/C9H18N2O.C7H16N2/c1-3-11-6-4-9(5-7-11)10-8(2)12;1-2-9-5-3-7(8)4-6-9/h9H,3-7H2,1-2H3,(H,10,12);7H,2-6,8H2,1H3
InChIKeyBWUPORWDXLFIAB-UHFFFAOYSA-N
XLogP1.04
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)acetamide?
The IUPAC name of 1-ethylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)acetamide (CID 157486755) is 1-ethylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 1-ethylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)acetamide?
The canonical SMILES for 1-ethylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)acetamide is CCN1CCC(N)CC1.CCN1CCC(NC(C)=O)CC1.
What is the InChIKey of 1-ethylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)acetamide?
The InChIKey is BWUPORWDXLFIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C7H16N2/c1-3-11-6-4-9(5-7-11)10-8(2)12;1-2-9-5-3-7(8)4-6-9/h9H,3-7H2,1-2H3,(H,10,12);7H,2-6,8H2,1H3.
What are the key properties of 1-ethylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)acetamide?
1-ethylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)acetamide has a molecular weight of 298.47 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 157486755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).