5-[(3-butoxy-2-hydroxypropyl)amino]-1-methylpiperidin-2-one

C13H26N2O3 — CID 107262846

IUPAC5-[(3-butoxy-2-hydroxypropyl)amino]-1-methylpiperidin-2-one
SMILESCCCCOCC(O)CNC1CCC(=O)N(C)C1
InChIInChI=1S/C13H26N2O3/c1-3-4-7-18-10-12(16)8-14-11-5-6-13(17)15(2)9-11/h11-12,14,16H,3-10H2,1-2H3
InChIKeyCBXDHUFVXVLVNM-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.37
Rot. Bonds8

About 5-[(3-butoxy-2-hydroxypropyl)amino]-1-methylpiperidin-2-one

5-[(3-butoxy-2-hydroxypropyl)amino]-1-methylpiperidin-2-one (PubChem CID 107262846) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 5-[(3-butoxy-2-hydroxypropyl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(3-butoxy-2-hydroxypropyl)amino]-1-methylpiperidin-2-one
PubChem CID107262846
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name5-[(3-butoxy-2-hydroxypropyl)amino]-1-methylpiperidin-2-one
SMILESCCCCOCC(O)CNC1CCC(=O)N(C)C1
InChIInChI=1S/C13H26N2O3/c1-3-4-7-18-10-12(16)8-14-11-5-6-13(17)15(2)9-11/h11-12,14,16H,3-10H2,1-2H3
InChIKeyCBXDHUFVXVLVNM-UHFFFAOYSA-N
XLogP0.37
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.37
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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Related Compounds

5-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-1-methylpiperidin-2-one
CID 64654934
5-(butylamino)-1-methylpiperidin-2-one
CID 64655124
1-methyl-5-(2-methylbutylamino)piperidin-2-one
CID 64654315
1-butoxy-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol
CID 107262875
5-(hexylamino)-1-methylpiperidin-2-one
CID 64654704
1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol
CID 107262664
1-(2-butoxyethoxy)-3-(cyclopentylamino)propan-2-ol
CID 60635270
1-methyl-5-(propylamino)piperidin-2-one
CID 64655123
1-butoxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 107263143
1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol
CID 60633253
3-[(2-hydroxy-3-octoxypropyl)amino]-1-methylpyrrolidin-2-one
CID 106256661
1-hexoxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60909698

Frequently Asked Questions

What is the IUPAC name of 5-[(3-butoxy-2-hydroxypropyl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(3-butoxy-2-hydroxypropyl)amino]-1-methylpiperidin-2-one (CID 107262846) is 5-[(3-butoxy-2-hydroxypropyl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(3-butoxy-2-hydroxypropyl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(3-butoxy-2-hydroxypropyl)amino]-1-methylpiperidin-2-one is CCCCOCC(O)CNC1CCC(=O)N(C)C1.
What is the InChIKey of 5-[(3-butoxy-2-hydroxypropyl)amino]-1-methylpiperidin-2-one?
The InChIKey is CBXDHUFVXVLVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-3-4-7-18-10-12(16)8-14-11-5-6-13(17)15(2)9-11/h11-12,14,16H,3-10H2,1-2H3.
What are the key properties of 5-[(3-butoxy-2-hydroxypropyl)amino]-1-methylpiperidin-2-one?
5-[(3-butoxy-2-hydroxypropyl)amino]-1-methylpiperidin-2-one has a molecular weight of 258.36 g/mol, XLogP of 0.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-butoxy-2-hydroxypropyl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 107262846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).