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

C13H26N2O2 — CID 61149139

IUPAC(2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one
SMILESCC(C)C[C@H](N)C(=O)N1CCCCC1CCO
InChIInChI=1S/C13H26N2O2/c1-10(2)9-12(14)13(17)15-7-4-3-5-11(15)6-8-16/h10-12,16H,3-9,14H2,1-2H3/t11?,12-/m0/s1
InChIKeyGVFSLKUIZIFSRV-KIYNQFGBSA-N
MW242.36 g/mol
LogP1.12
Rot. Bonds5

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

(2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one (PubChem CID 61149139) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one
PubChem CID61149139
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one
SMILESCC(C)C[C@H](N)C(=O)N1CCCCC1CCO
InChIInChI=1S/C13H26N2O2/c1-10(2)9-12(14)13(17)15-7-4-3-5-11(15)6-8-16/h10-12,16H,3-9,14H2,1-2H3/t11?,12-/m0/s1
InChIKeyGVFSLKUIZIFSRV-KIYNQFGBSA-N
XLogP1.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[2-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 61155952
(2R)-2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 104903407
(2S)-2-amino-1-(2-ethylazepan-1-yl)-4-methylpentan-1-one
CID 103832803
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 61409806
(2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 61149140
(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 61165353
(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 104903172
methyl 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-2-yl]acetate
CID 61156720
(2S)-1-(2-amino-4-methylpentanoyl)piperidine-2-carboxylic acid
CID 66263387
(2S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidine-2-carboxylic acid
CID 66263946
1-[(2R)-2-amino-4-methylpentanoyl]azepane-2-carboxylic acid
CID 103871063
2-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 60956630

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one?
The IUPAC name of (2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one (CID 61149139) is (2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one?
The canonical SMILES for (2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one is CC(C)C[C@H](N)C(=O)N1CCCCC1CCO.
What is the InChIKey of (2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one?
The InChIKey is GVFSLKUIZIFSRV-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)9-12(14)13(17)15-7-4-3-5-11(15)6-8-16/h10-12,16H,3-9,14H2,1-2H3/t11?,12-/m0/s1.
What are the key properties of (2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one?
(2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one is sourced from PubChem (CID 61149139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).