3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one

C10H20N2O2 — CID 129497497

IUPAC3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
SMILESC[C@@H](O)[C@H]1CCCN(C(=O)CCN)C1
InChIInChI=1S/C10H20N2O2/c1-8(13)9-3-2-6-12(7-9)10(14)4-5-11/h8-9,13H,2-7,11H2,1H3/t8-,9+/m1/s1
InChIKeyMUZROVXPCYTXRE-BDAKNGLRSA-N
MW200.28 g/mol
LogP-0.05
Rot. Bonds3

About 3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one

3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one (PubChem CID 129497497) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
PubChem CID129497497
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
SMILESC[C@@H](O)[C@H]1CCCN(C(=O)CCN)C1
InChIInChI=1S/C10H20N2O2/c1-8(13)9-3-2-6-12(7-9)10(14)4-5-11/h8-9,13H,2-7,11H2,1H3/t8-,9+/m1/s1
InChIKeyMUZROVXPCYTXRE-BDAKNGLRSA-N
XLogP-0.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]ethanone
CID 129497014
1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 129496090
1-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 129496088
3-[(3S)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]-3-oxopropanenitrile
CID 129494785
3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one
CID 130686202
1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119311679
5-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one
CID 112629395
3-amino-1-[(3S)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 129494864
3-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 129494865
3-methoxy-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one
CID 58395437
N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
CID 112627417
2-(1-aminocyclopentyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 112625298

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one (CID 129497497) is 3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one is C[C@@H](O)[C@H]1CCCN(C(=O)CCN)C1.
What is the InChIKey of 3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one?
The InChIKey is MUZROVXPCYTXRE-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(13)9-3-2-6-12(7-9)10(14)4-5-11/h8-9,13H,2-7,11H2,1H3/t8-,9+/m1/s1.
What are the key properties of 3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one?
3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one has a molecular weight of 200.28 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 129497497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).