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

C13H26N2O2 — CID 103831721

IUPAC(2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCCC(COC)C1
InChIInChI=1S/C13H26N2O2/c1-3-4-7-12(14)13(16)15-8-5-6-11(9-15)10-17-2/h11-12H,3-10,14H2,1-2H3/t11?,12-/m0/s1
InChIKeyCVNFBOCYUKCZFF-KIYNQFGBSA-N
MW242.36 g/mol
LogP1.39
Rot. Bonds6

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

(2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]hexan-1-one (PubChem CID 103831721) 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]hexan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]hexan-1-one
PubChem CID103831721
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCCC(COC)C1
InChIInChI=1S/C13H26N2O2/c1-3-4-7-12(14)13(16)15-8-5-6-11(9-15)10-17-2/h11-12H,3-10,14H2,1-2H3/t11?,12-/m0/s1
InChIKeyCVNFBOCYUKCZFF-KIYNQFGBSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
(2R)-2-amino-1-[4-(methoxymethyl)piperidin-1-yl]pentan-1-one
CID 103796402
(2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 103810680
(2S)-2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 103831654
2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 63626506
2-amino-1-(3-propylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119337251
2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 106587981
(2S)-2-amino-3-(4-hydroxyphenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 106586844
3-amino-2-methoxy-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 106114088
2-[1-[(2S)-2-aminohexanoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 107146398
(2S)-2-amino-1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 64596670

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]hexan-1-one?
The IUPAC name of (2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]hexan-1-one (CID 103831721) is (2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]hexan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]hexan-1-one?
The canonical SMILES for (2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]hexan-1-one is CCCC[C@H](N)C(=O)N1CCCC(COC)C1.
What is the InChIKey of (2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]hexan-1-one?
The InChIKey is CVNFBOCYUKCZFF-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-4-7-12(14)13(16)15-8-5-6-11(9-15)10-17-2/h11-12H,3-10,14H2,1-2H3/t11?,12-/m0/s1.
What are the key properties of (2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]hexan-1-one?
(2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]hexan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.39, 6 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]hexan-1-one is sourced from PubChem (CID 103831721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).