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

C13H26N2O2 — CID 82682909

IUPAC5-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one
SMILESCC(CN)CCC(=O)N1CCCCC1CCO
InChIInChI=1S/C13H26N2O2/c1-11(10-14)5-6-13(17)15-8-3-2-4-12(15)7-9-16/h11-12,16H,2-10,14H2,1H3
InChIKeyQDPTXMPZCNWCKR-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.12
Rot. Bonds6

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

5-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one (PubChem CID 82682909) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 5-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one
PubChem CID82682909
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name5-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one
SMILESCC(CN)CCC(=O)N1CCCCC1CCO
InChIInChI=1S/C13H26N2O2/c1-11(10-14)5-6-13(17)15-8-3-2-4-12(15)7-9-16/h11-12,16H,2-10,14H2,1H3
InChIKeyQDPTXMPZCNWCKR-UHFFFAOYSA-N
XLogP1.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

6-amino-1-(2-ethylazepan-1-yl)-4-methylhexan-1-one
CID 113441676
4-amino-1-[2-(3-methylbutyl)piperidin-1-yl]pentan-1-one
CID 120564107
1-[2-(aminomethyl)azepan-1-yl]-4-methoxypentan-1-one
CID 116640028
2-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 60956630
2-(1-aminocyclopentyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 64684748
(2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 61149140
1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one
CID 150449781
1-[2-(2-aminoethyl)piperidin-1-yl]butan-1-one
CID 63754291
2-[(2S)-1-(4-methylpentanoyl)piperidin-2-yl]acetamide
CID 95296140
1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 55049095
(2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 61149139
1-[2-(2-aminoethyl)piperidin-1-yl]-3-methoxypropan-1-one
CID 63755020

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one?
The IUPAC name of 5-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one (CID 82682909) is 5-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one?
The canonical SMILES for 5-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one is CC(CN)CCC(=O)N1CCCCC1CCO.
What is the InChIKey of 5-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one?
The InChIKey is QDPTXMPZCNWCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(10-14)5-6-13(17)15-8-3-2-4-12(15)7-9-16/h11-12,16H,2-10,14H2,1H3.
What are the key properties of 5-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one?
5-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, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one is sourced from PubChem (CID 82682909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).