1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone

C11H22N2O — CID 66569294

IUPAC1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CNC(C)C)CC1
InChIInChI=1S/C11H22N2O/c1-9(2)12-8-11-4-6-13(7-5-11)10(3)14/h9,11-12H,4-8H2,1-3H3
InChIKeyTTYBVMKQNQJIJE-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.24
Rot. Bonds3

About 1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone

1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone (PubChem CID 66569294) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
PubChem CID66569294
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CNC(C)C)CC1
InChIInChI=1S/C11H22N2O/c1-9(2)12-8-11-4-6-13(7-5-11)10(3)14/h9,11-12H,4-8H2,1-3H3
InChIKeyTTYBVMKQNQJIJE-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone (CID 66569294) is 1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(CNC(C)C)CC1.
What is the InChIKey of 1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone?
The InChIKey is TTYBVMKQNQJIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)12-8-11-4-6-13(7-5-11)10(3)14/h9,11-12H,4-8H2,1-3H3.
What are the key properties of 1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone?
1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone has a molecular weight of 198.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 66569294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).