(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methoxy-2-phenylethanone

C16H24N2O2 — CID 124677545

IUPAC(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methoxy-2-phenylethanone
SMILESCO[C@H](C(=O)N1CCC[C@H]([C@@H](C)N)C1)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-12(17)14-9-6-10-18(11-14)16(19)15(20-2)13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11,17H2,1-2H3/t12-,14+,15+/m1/s1
InChIKeyHHOWOBJOTQLWAW-SNPRPXQTSA-N
MW276.38 g/mol
LogP1.96
Rot. Bonds4

About (2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methoxy-2-phenylethanone

(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methoxy-2-phenylethanone (PubChem CID 124677545) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methoxy-2-phenylethanone.

Molecular Properties

Compound Name(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methoxy-2-phenylethanone
PubChem CID124677545
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methoxy-2-phenylethanone
SMILESCO[C@H](C(=O)N1CCC[C@H]([C@@H](C)N)C1)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-12(17)14-9-6-10-18(11-14)16(19)15(20-2)13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11,17H2,1-2H3/t12-,14+,15+/m1/s1
InChIKeyHHOWOBJOTQLWAW-SNPRPXQTSA-N
XLogP1.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methoxy-2-phenylethanone with MolForge

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Related Compounds

(3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid
CID 120684525
1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylbutan-1-one;hydrochloride
CID 119595885
1-(2-methoxy-2-phenylacetyl)piperidine-3-sulfonamide
CID 62098751
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 124726818
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(diethylamino)-2-phenylethanone
CID 119594160
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride
CID 119413072
1-(3-hydroxypyrrolidin-1-yl)-2-methoxy-2-phenylethanone
CID 62918304
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 79030711
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 66291678
1-(2-methoxy-2-phenylacetyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 49404500
1-(4-amino-3-methylpiperidin-1-yl)-2-methoxy-2-phenylethanone;hydrochloride
CID 119592553

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methoxy-2-phenylethanone?
The IUPAC name of (2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methoxy-2-phenylethanone (CID 124677545) is (2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methoxy-2-phenylethanone.
What is the SMILES notation for (2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methoxy-2-phenylethanone?
The canonical SMILES for (2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methoxy-2-phenylethanone is CO[C@H](C(=O)N1CCC[C@H]([C@@H](C)N)C1)c1ccccc1.
What is the InChIKey of (2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methoxy-2-phenylethanone?
The InChIKey is HHOWOBJOTQLWAW-SNPRPXQTSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(17)14-9-6-10-18(11-14)16(19)15(20-2)13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11,17H2,1-2H3/t12-,14+,15+/m1/s1.
What are the key properties of (2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methoxy-2-phenylethanone?
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methoxy-2-phenylethanone has a molecular weight of 276.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methoxy-2-phenylethanone is sourced from PubChem (CID 124677545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).