(2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one

C13H26N2O2 — CID 103810680

IUPAC(2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCOCC1CCCN(C(=O)[C@@H](N)C(C)(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)11(14)12(16)15-7-5-6-10(8-15)9-17-4/h10-11H,5-9,14H2,1-4H3/t10?,11-/m1/s1
InChIKeyHUFCTXNUIDZTCU-RRKGBCIJSA-N
MW242.36 g/mol
LogP1.24
Rot. Bonds3

About (2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one

(2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 103810680) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID103810680
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCOCC1CCCN(C(=O)[C@@H](N)C(C)(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)11(14)12(16)15-7-5-6-10(8-15)9-17-4/h10-11H,5-9,14H2,1-4H3/t10?,11-/m1/s1
InChIKeyHUFCTXNUIDZTCU-RRKGBCIJSA-N
XLogP1.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

(2S)-2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119776125
3-amino-2-methoxy-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 106114088
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]pentan-1-one
CID 103796555
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 103810688
2-amino-2-cyclopropyl-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 103821153
(2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]hexan-1-one
CID 103831721
2-amino-1-(4-ethylazepan-1-yl)-3,3-dimethylbutan-1-one
CID 77024566
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119322528
N-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]methyl]butanamide
CID 119761645
2-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 130620193
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 103796550
(2R)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 103796537

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of (2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one (CID 103810680) is (2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for (2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one is COCC1CCCN(C(=O)[C@@H](N)C(C)(C)C)C1.
What is the InChIKey of (2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is HUFCTXNUIDZTCU-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,3)11(14)12(16)15-7-5-6-10(8-15)9-17-4/h10-11H,5-9,14H2,1-4H3/t10?,11-/m1/s1.
What are the key properties of (2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one?
(2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 103810680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).