methane;2-methyl-1-[4-(propan-2-ylamino)piperidin-4-yl]propan-1-one

C13H28N2O — CID 159238469

IUPACmethane;2-methyl-1-[4-(propan-2-ylamino)piperidin-4-yl]propan-1-one
SMILESC.CC(C)NC1(C(=O)C(C)C)CCNCC1
InChIInChI=1S/C12H24N2O.CH4/c1-9(2)11(15)12(14-10(3)4)5-7-13-8-6-12;/h9-10,13-14H,5-8H2,1-4H3;1H4
InChIKeyKTUAFMVRLFRLRR-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.97
Rot. Bonds4

About methane;2-methyl-1-[4-(propan-2-ylamino)piperidin-4-yl]propan-1-one

methane;2-methyl-1-[4-(propan-2-ylamino)piperidin-4-yl]propan-1-one (PubChem CID 159238469) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is methane;2-methyl-1-[4-(propan-2-ylamino)piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Namemethane;2-methyl-1-[4-(propan-2-ylamino)piperidin-4-yl]propan-1-one
PubChem CID159238469
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Namemethane;2-methyl-1-[4-(propan-2-ylamino)piperidin-4-yl]propan-1-one
SMILESC.CC(C)NC1(C(=O)C(C)C)CCNCC1
InChIInChI=1S/C12H24N2O.CH4/c1-9(2)11(15)12(14-10(3)4)5-7-13-8-6-12;/h9-10,13-14H,5-8H2,1-4H3;1H4
InChIKeyKTUAFMVRLFRLRR-UHFFFAOYSA-N
XLogP1.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-1-[4-(propan-2-ylamino)piperidin-4-yl]propan-1-one?
The IUPAC name of methane;2-methyl-1-[4-(propan-2-ylamino)piperidin-4-yl]propan-1-one (CID 159238469) is methane;2-methyl-1-[4-(propan-2-ylamino)piperidin-4-yl]propan-1-one.
What is the SMILES notation for methane;2-methyl-1-[4-(propan-2-ylamino)piperidin-4-yl]propan-1-one?
The canonical SMILES for methane;2-methyl-1-[4-(propan-2-ylamino)piperidin-4-yl]propan-1-one is C.CC(C)NC1(C(=O)C(C)C)CCNCC1.
What is the InChIKey of methane;2-methyl-1-[4-(propan-2-ylamino)piperidin-4-yl]propan-1-one?
The InChIKey is KTUAFMVRLFRLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.CH4/c1-9(2)11(15)12(14-10(3)4)5-7-13-8-6-12;/h9-10,13-14H,5-8H2,1-4H3;1H4.
What are the key properties of methane;2-methyl-1-[4-(propan-2-ylamino)piperidin-4-yl]propan-1-one?
methane;2-methyl-1-[4-(propan-2-ylamino)piperidin-4-yl]propan-1-one has a molecular weight of 228.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-1-[4-(propan-2-ylamino)piperidin-4-yl]propan-1-one is sourced from PubChem (CID 159238469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).