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

C13H26N2O2 — CID 63980158

IUPAC(2S)-2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one
SMILESCOCC1CCN(C(=O)[C@@H](N)CC(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)8-12(14)13(16)15-6-4-11(5-7-15)9-17-3/h10-12H,4-9,14H2,1-3H3/t12-/m0/s1
InChIKeyVUYKOLHADYIFJC-LBPRGKRZSA-N
MW242.36 g/mol
LogP1.24
Rot. Bonds5

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

(2S)-2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one (PubChem CID 63980158) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one
PubChem CID63980158
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(2S)-2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one
SMILESCOCC1CCN(C(=O)[C@@H](N)CC(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)8-12(14)13(16)15-6-4-11(5-7-15)9-17-3/h10-12H,4-9,14H2,1-3H3/t12-/m0/s1
InChIKeyVUYKOLHADYIFJC-LBPRGKRZSA-N
XLogP1.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one (CID 63980158) is (2S)-2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one is COCC1CCN(C(=O)[C@@H](N)CC(C)C)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one?
The InChIKey is VUYKOLHADYIFJC-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)8-12(14)13(16)15-6-4-11(5-7-15)9-17-3/h10-12H,4-9,14H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one?
(2S)-2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one is sourced from PubChem (CID 63980158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).