1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone

C13H24N2O2 — CID 124889456

IUPAC1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone
SMILESC[C@@H](N)[C@@H]1CCCN(C(=O)COCC2CC2)C1
InChIInChI=1S/C13H24N2O2/c1-10(14)12-3-2-6-15(7-12)13(16)9-17-8-11-4-5-11/h10-12H,2-9,14H2,1H3/t10-,12-/m1/s1
InChIKeyIJDJTZICZAUCER-ZYHUDNBSSA-N
MW240.35 g/mol
LogP1.00
Rot. Bonds5

About 1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone

1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone (PubChem CID 124889456) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone
PubChem CID124889456
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone
SMILESC[C@@H](N)[C@@H]1CCCN(C(=O)COCC2CC2)C1
InChIInChI=1S/C13H24N2O2/c1-10(14)12-3-2-6-15(7-12)13(16)9-17-8-11-4-5-11/h10-12H,2-9,14H2,1H3/t10-,12-/m1/s1
InChIKeyIJDJTZICZAUCER-ZYHUDNBSSA-N
XLogP1.00
TPSA55.56 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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103807110
1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-[(1R,2S)-2-methylcyclohexyl]oxyethanone
CID 124691199
1-[3-(1-aminoethyl)piperidin-1-yl]-3,4-dimethylpentan-1-one
CID 119596793
1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 119595149
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 119592997
methyl (3S)-3-[(1R)-1-aminoethyl]piperidine-1-carboxylate
CID 95320381
1-[3-(1-aminoethyl)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride
CID 119593481
N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]butanamide
CID 119595563
1-(azetidin-1-yl)-2-[[(3R)-1-[2-(cyclopentylmethoxy)acetyl]piperidin-3-yl]amino]ethanone
CID 154853211
2-(cyclopropylmethoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 99583114
1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 124687485
1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone
CID 125135182

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone?
The IUPAC name of 1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone (CID 124889456) is 1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone.
What is the SMILES notation for 1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone?
The canonical SMILES for 1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone is C[C@@H](N)[C@@H]1CCCN(C(=O)COCC2CC2)C1.
What is the InChIKey of 1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone?
The InChIKey is IJDJTZICZAUCER-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(14)12-3-2-6-15(7-12)13(16)9-17-8-11-4-5-11/h10-12H,2-9,14H2,1H3/t10-,12-/m1/s1.
What are the key properties of 1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone?
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone has a molecular weight of 240.35 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone is sourced from PubChem (CID 124889456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).