1-[(3R)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidin-1-yl]ethanone

C13H24N2O2 — CID 96553206

IUPAC1-[(3R)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](CN(CCO)C2CC2)C1
InChIInChI=1S/C13H24N2O2/c1-11(17)14-6-2-3-12(9-14)10-15(7-8-16)13-4-5-13/h12-13,16H,2-10H2,1H3/t12-/m0/s1
InChIKeyPYXGKVOOFRGCLQ-LBPRGKRZSA-N
MW240.35 g/mol
LogP0.70
Rot. Bonds5

About 1-[(3R)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidin-1-yl]ethanone

1-[(3R)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidin-1-yl]ethanone (PubChem CID 96553206) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[(3R)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidin-1-yl]ethanone
PubChem CID96553206
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[(3R)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](CN(CCO)C2CC2)C1
InChIInChI=1S/C13H24N2O2/c1-11(17)14-6-2-3-12(9-14)10-15(7-8-16)13-4-5-13/h12-13,16H,2-10H2,1H3/t12-/m0/s1
InChIKeyPYXGKVOOFRGCLQ-LBPRGKRZSA-N
XLogP0.70
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-1-yl]ethanone
CID 66565448
benzyl (3S)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate
CID 96552079
1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 96553174
1-[4-[ethyl(2-hydroxyethyl)amino]piperidin-1-yl]ethanone
CID 66565461
1-[(3S)-3-[[2-hydroxyethyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 96553193
N-(1-acetylpiperidin-4-yl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide
CID 78896957
1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
CID 59751401
N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide
CID 96554554
2-[[(3R)-1-benzylpiperidin-3-yl]methyl-cyclopropylamino]ethanol
CID 96552834
1-[3-[[4-hydroxybutyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 109397413
1-[3-[2-(1-acetylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one
CID 91567205
1-acetyl-N-cyclobutyl-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 102866122

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidin-1-yl]ethanone (CID 96553206) is 1-[(3R)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](CN(CCO)C2CC2)C1.
What is the InChIKey of 1-[(3R)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidin-1-yl]ethanone?
The InChIKey is PYXGKVOOFRGCLQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(17)14-6-2-3-12(9-14)10-15(7-8-16)13-4-5-13/h12-13,16H,2-10H2,1H3/t12-/m0/s1.
What are the key properties of 1-[(3R)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidin-1-yl]ethanone?
1-[(3R)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidin-1-yl]ethanone has a molecular weight of 240.35 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 96553206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).