5-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentan-1-one

C13H26N2O2 — CID 104685126

IUPAC5-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentan-1-one
SMILESCOCC1CCN(C(=O)C(C)CCCN)CC1
InChIInChI=1S/C13H26N2O2/c1-11(4-3-7-14)13(16)15-8-5-12(6-9-15)10-17-2/h11-12H,3-10,14H2,1-2H3
InChIKeyVSOUTJMDTCYTPE-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.25
Rot. Bonds6

About 5-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentan-1-one

5-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentan-1-one (PubChem CID 104685126) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 5-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentan-1-one
PubChem CID104685126
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name5-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentan-1-one
SMILESCOCC1CCN(C(=O)C(C)CCCN)CC1
InChIInChI=1S/C13H26N2O2/c1-11(4-3-7-14)13(16)15-8-5-12(6-9-15)10-17-2/h11-12H,3-10,14H2,1-2H3
InChIKeyVSOUTJMDTCYTPE-UHFFFAOYSA-N
XLogP1.25
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentan-1-one?
The IUPAC name of 5-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentan-1-one (CID 104685126) is 5-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentan-1-one?
The canonical SMILES for 5-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentan-1-one is COCC1CCN(C(=O)C(C)CCCN)CC1.
What is the InChIKey of 5-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentan-1-one?
The InChIKey is VSOUTJMDTCYTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(4-3-7-14)13(16)15-8-5-12(6-9-15)10-17-2/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 5-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentan-1-one?
5-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentan-1-one is sourced from PubChem (CID 104685126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).