2-amino-1-[3-(cyclopropylmethyl)-4-hydroxypiperidin-1-yl]ethanone

C11H20N2O2 — CID 121203025

IUPAC2-amino-1-[3-(cyclopropylmethyl)-4-hydroxypiperidin-1-yl]ethanone
SMILESNCC(=O)N1CCC(O)C(CC2CC2)C1
InChIInChI=1S/C11H20N2O2/c12-6-11(15)13-4-3-10(14)9(7-13)5-8-1-2-8/h8-10,14H,1-7,12H2
InChIKeyXQMJZQPESQJUSV-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.05
Rot. Bonds3

About 2-amino-1-[3-(cyclopropylmethyl)-4-hydroxypiperidin-1-yl]ethanone

2-amino-1-[3-(cyclopropylmethyl)-4-hydroxypiperidin-1-yl]ethanone (PubChem CID 121203025) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-amino-1-[3-(cyclopropylmethyl)-4-hydroxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-(cyclopropylmethyl)-4-hydroxypiperidin-1-yl]ethanone
PubChem CID121203025
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-amino-1-[3-(cyclopropylmethyl)-4-hydroxypiperidin-1-yl]ethanone
SMILESNCC(=O)N1CCC(O)C(CC2CC2)C1
InChIInChI=1S/C11H20N2O2/c12-6-11(15)13-4-3-10(14)9(7-13)5-8-1-2-8/h8-10,14H,1-7,12H2
InChIKeyXQMJZQPESQJUSV-UHFFFAOYSA-N
XLogP-0.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-1-[3-(cyclopropylmethyl)-4-hydroxypiperidin-1-yl]propan-1-one
CID 121203024
2-amino-1-[(3S,4R)-4-hydroxy-3-propylpiperidin-1-yl]ethanone
CID 129496536
(2S)-2-chloro-1-[(3S,4S)-3-(cyclopropylmethyl)-4-hydroxypiperidin-1-yl]butan-1-one
CID 129497278
2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
CID 131106028
2-[1-(2-aminoacetyl)pyrrolidin-3-yl]acetaldehyde
CID 178167886
1-(3-ethyl-4-hydroxypiperidin-1-yl)pentan-1-one
CID 114509873
2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445
2-ethoxy-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone
CID 114509876
2-amino-1-(3-sulfanylpiperidin-1-yl)ethanone
CID 84755275
2-amino-1-(5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)ethanone
CID 130678878
2-amino-1-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 96554851
2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119877838

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(cyclopropylmethyl)-4-hydroxypiperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[3-(cyclopropylmethyl)-4-hydroxypiperidin-1-yl]ethanone (CID 121203025) is 2-amino-1-[3-(cyclopropylmethyl)-4-hydroxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[3-(cyclopropylmethyl)-4-hydroxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[3-(cyclopropylmethyl)-4-hydroxypiperidin-1-yl]ethanone is NCC(=O)N1CCC(O)C(CC2CC2)C1.
What is the InChIKey of 2-amino-1-[3-(cyclopropylmethyl)-4-hydroxypiperidin-1-yl]ethanone?
The InChIKey is XQMJZQPESQJUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c12-6-11(15)13-4-3-10(14)9(7-13)5-8-1-2-8/h8-10,14H,1-7,12H2.
What are the key properties of 2-amino-1-[3-(cyclopropylmethyl)-4-hydroxypiperidin-1-yl]ethanone?
2-amino-1-[3-(cyclopropylmethyl)-4-hydroxypiperidin-1-yl]ethanone has a molecular weight of 212.29 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-[3-(cyclopropylmethyl)-4-hydroxypiperidin-1-yl]ethanone is sourced from PubChem (CID 121203025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).