1-[(5R)-2-[(1S)-1-hydroxyethyl]-5-[2-(propylamino)ethyl]piperidin-1-yl]-2-methoxyethanone

C15H30N2O3 — CID 126669713

IUPAC1-[(5R)-2-[(1S)-1-hydroxyethyl]-5-[2-(propylamino)ethyl]piperidin-1-yl]-2-methoxyethanone
SMILESCCCNCC[C@H]1CCC([C@H](C)O)N(C(=O)COC)C1
InChIInChI=1S/C15H30N2O3/c1-4-8-16-9-7-13-5-6-14(12(2)18)17(10-13)15(19)11-20-3/h12-14,16,18H,4-11H2,1-3H3/t12-,13+,14?/m0/s1
InChIKeyVUGQMDVJEXHQFU-WLDKUNSKSA-N
MW286.42 g/mol
LogP1.01
Rot. Bonds8

About 1-[(5R)-2-[(1S)-1-hydroxyethyl]-5-[2-(propylamino)ethyl]piperidin-1-yl]-2-methoxyethanone

1-[(5R)-2-[(1S)-1-hydroxyethyl]-5-[2-(propylamino)ethyl]piperidin-1-yl]-2-methoxyethanone (PubChem CID 126669713) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[(5R)-2-[(1S)-1-hydroxyethyl]-5-[2-(propylamino)ethyl]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(5R)-2-[(1S)-1-hydroxyethyl]-5-[2-(propylamino)ethyl]piperidin-1-yl]-2-methoxyethanone
PubChem CID126669713
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name1-[(5R)-2-[(1S)-1-hydroxyethyl]-5-[2-(propylamino)ethyl]piperidin-1-yl]-2-methoxyethanone
SMILESCCCNCC[C@H]1CCC([C@H](C)O)N(C(=O)COC)C1
InChIInChI=1S/C15H30N2O3/c1-4-8-16-9-7-13-5-6-14(12(2)18)17(10-13)15(19)11-20-3/h12-14,16,18H,4-11H2,1-3H3/t12-,13+,14?/m0/s1
InChIKeyVUGQMDVJEXHQFU-WLDKUNSKSA-N
XLogP1.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-2-[(1S)-1-hydroxyethyl]-5-[2-(propylamino)ethyl]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[(5R)-2-[(1S)-1-hydroxyethyl]-5-[2-(propylamino)ethyl]piperidin-1-yl]-2-methoxyethanone (CID 126669713) is 1-[(5R)-2-[(1S)-1-hydroxyethyl]-5-[2-(propylamino)ethyl]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(5R)-2-[(1S)-1-hydroxyethyl]-5-[2-(propylamino)ethyl]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(5R)-2-[(1S)-1-hydroxyethyl]-5-[2-(propylamino)ethyl]piperidin-1-yl]-2-methoxyethanone is CCCNCC[C@H]1CCC([C@H](C)O)N(C(=O)COC)C1.
What is the InChIKey of 1-[(5R)-2-[(1S)-1-hydroxyethyl]-5-[2-(propylamino)ethyl]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is VUGQMDVJEXHQFU-WLDKUNSKSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-4-8-16-9-7-13-5-6-14(12(2)18)17(10-13)15(19)11-20-3/h12-14,16,18H,4-11H2,1-3H3/t12-,13+,14?/m0/s1.
What are the key properties of 1-[(5R)-2-[(1S)-1-hydroxyethyl]-5-[2-(propylamino)ethyl]piperidin-1-yl]-2-methoxyethanone?
1-[(5R)-2-[(1S)-1-hydroxyethyl]-5-[2-(propylamino)ethyl]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 286.42 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-2-[(1S)-1-hydroxyethyl]-5-[2-(propylamino)ethyl]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 126669713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).