1-[4-(2-aminoethyl)piperidin-1-yl]-2-propan-2-yloxyethanone

C12H24N2O2 — CID 112603420

IUPAC1-[4-(2-aminoethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCC(CCN)CC1
InChIInChI=1S/C12H24N2O2/c1-10(2)16-9-12(15)14-7-4-11(3-6-13)5-8-14/h10-11H,3-9,13H2,1-2H3
InChIKeyCACCPMBTCVVZME-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.00
Rot. Bonds5

About 1-[4-(2-aminoethyl)piperidin-1-yl]-2-propan-2-yloxyethanone

1-[4-(2-aminoethyl)piperidin-1-yl]-2-propan-2-yloxyethanone (PubChem CID 112603420) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)piperidin-1-yl]-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
PubChem CID112603420
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-[4-(2-aminoethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCC(CCN)CC1
InChIInChI=1S/C12H24N2O2/c1-10(2)16-9-12(15)14-7-4-11(3-6-13)5-8-14/h10-11H,3-9,13H2,1-2H3
InChIKeyCACCPMBTCVVZME-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)piperidin-1-yl]-2-propan-2-yloxyethanone?
The IUPAC name of 1-[4-(2-aminoethyl)piperidin-1-yl]-2-propan-2-yloxyethanone (CID 112603420) is 1-[4-(2-aminoethyl)piperidin-1-yl]-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-[4-(2-aminoethyl)piperidin-1-yl]-2-propan-2-yloxyethanone?
The canonical SMILES for 1-[4-(2-aminoethyl)piperidin-1-yl]-2-propan-2-yloxyethanone is CC(C)OCC(=O)N1CCC(CCN)CC1.
What is the InChIKey of 1-[4-(2-aminoethyl)piperidin-1-yl]-2-propan-2-yloxyethanone?
The InChIKey is CACCPMBTCVVZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)16-9-12(15)14-7-4-11(3-6-13)5-8-14/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 1-[4-(2-aminoethyl)piperidin-1-yl]-2-propan-2-yloxyethanone?
1-[4-(2-aminoethyl)piperidin-1-yl]-2-propan-2-yloxyethanone has a molecular weight of 228.34 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)piperidin-1-yl]-2-propan-2-yloxyethanone is sourced from PubChem (CID 112603420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).