2-amino-1-[(3S,4R)-4-hydroxy-3-propylpiperidin-1-yl]ethanone

C10H20N2O2 — CID 129496536

IUPAC2-amino-1-[(3S,4R)-4-hydroxy-3-propylpiperidin-1-yl]ethanone
SMILESCCC[C@H]1CN(C(=O)CN)CC[C@H]1O
InChIInChI=1S/C10H20N2O2/c1-2-3-8-7-12(10(14)6-11)5-4-9(8)13/h8-9,13H,2-7,11H2,1H3/t8-,9+/m0/s1
InChIKeyDRTVFCNLOOTGND-DTWKUNHWSA-N
MW200.28 g/mol
LogP-0.05
Rot. Bonds3

About 2-amino-1-[(3S,4R)-4-hydroxy-3-propylpiperidin-1-yl]ethanone

2-amino-1-[(3S,4R)-4-hydroxy-3-propylpiperidin-1-yl]ethanone (PubChem CID 129496536) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-amino-1-[(3S,4R)-4-hydroxy-3-propylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[(3S,4R)-4-hydroxy-3-propylpiperidin-1-yl]ethanone
PubChem CID129496536
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-amino-1-[(3S,4R)-4-hydroxy-3-propylpiperidin-1-yl]ethanone
SMILESCCC[C@H]1CN(C(=O)CN)CC[C@H]1O
InChIInChI=1S/C10H20N2O2/c1-2-3-8-7-12(10(14)6-11)5-4-9(8)13/h8-9,13H,2-7,11H2,1H3/t8-,9+/m0/s1
InChIKeyDRTVFCNLOOTGND-DTWKUNHWSA-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

4-[(3R,4S)-4-hydroxy-3-propylpiperidin-1-yl]-4-oxobutanoic acid
CID 129497980
2-amino-1-[3-(cyclopropylmethyl)-4-hydroxypiperidin-1-yl]ethanone
CID 121203025
1-(3-ethyl-4-hydroxypiperidin-1-yl)pentan-1-one
CID 114509873
2-ethoxy-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone
CID 114509876
ethyl (3S,4R)-3-(aminomethyl)-4-hydroxypiperidine-1-carboxylate
CID 59145083
(2R)-2-[(3R,4S)-4-hydroxy-3-propylpiperidin-1-yl]propanoic acid
CID 129499913
tert-butyl 3-butyl-4-hydroxypiperidine-1-carboxylate
CID 114452023
(3S,4S)-1-tert-butyl-3-propylpiperidin-4-ol
CID 171581887
2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445
(3R,4S)-1-tert-butyl-3-propylpiperidin-4-ol
CID 171581949
(3S,4R)-1-tert-butyl-3-propylpiperidin-4-ol
CID 171581981
1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]propan-1-one
CID 96581961

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3S,4R)-4-hydroxy-3-propylpiperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[(3S,4R)-4-hydroxy-3-propylpiperidin-1-yl]ethanone (CID 129496536) is 2-amino-1-[(3S,4R)-4-hydroxy-3-propylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[(3S,4R)-4-hydroxy-3-propylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[(3S,4R)-4-hydroxy-3-propylpiperidin-1-yl]ethanone is CCC[C@H]1CN(C(=O)CN)CC[C@H]1O.
What is the InChIKey of 2-amino-1-[(3S,4R)-4-hydroxy-3-propylpiperidin-1-yl]ethanone?
The InChIKey is DRTVFCNLOOTGND-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-3-8-7-12(10(14)6-11)5-4-9(8)13/h8-9,13H,2-7,11H2,1H3/t8-,9+/m0/s1.
What are the key properties of 2-amino-1-[(3S,4R)-4-hydroxy-3-propylpiperidin-1-yl]ethanone?
2-amino-1-[(3S,4R)-4-hydroxy-3-propylpiperidin-1-yl]ethanone 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 2-amino-1-[(3S,4R)-4-hydroxy-3-propylpiperidin-1-yl]ethanone is sourced from PubChem (CID 129496536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).