1-(3-methoxypropyl)piperidin-4-one

C9H17NO2 — CID 18002008

IUPAC1-(3-methoxypropyl)piperidin-4-one
SMILESCOCCCN1CCC(=O)CC1
InChIInChI=1S/C9H17NO2/c1-12-8-2-5-10-6-3-9(11)4-7-10/h2-8H2,1H3
InChIKeyQFWBXLYVHOMANN-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.69
Rot. Bonds4

About 1-(3-methoxypropyl)piperidin-4-one

1-(3-methoxypropyl)piperidin-4-one (PubChem CID 18002008) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(3-methoxypropyl)piperidin-4-one.

Molecular Properties

Compound Name1-(3-methoxypropyl)piperidin-4-one
PubChem CID18002008
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(3-methoxypropyl)piperidin-4-one
SMILESCOCCCN1CCC(=O)CC1
InChIInChI=1S/C9H17NO2/c1-12-8-2-5-10-6-3-9(11)4-7-10/h2-8H2,1H3
InChIKeyQFWBXLYVHOMANN-UHFFFAOYSA-N
XLogP0.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Piperidinepropanoic acid, ethyl ester
CID 88183
1-Butyl-4-piperidone
CID 89995
1-Propyl-4-piperidone
CID 90006
4-(Piperidin-1-yl)butan-2-one
CID 414358
Methyl 3-piperidin-1-ylpropanoate
CID 566577
Ethyl 3-(4-oxopiperidin-1-yl)propanoate
CID 11984242
4-(Piperidin-1-yl)butan-2-one hydrochloride
CID 24213210
1-(Piperidin-1-yl)pentan-3-one
CID 13224768
Methyl 3-(4-oxopiperidin-1-yl)propanoate
CID 18187970
1-(2-Methoxyethyl)piperidin-4-one
CID 24710264
1-Hexylpiperidin-4-one
CID 10012600
N-ethyl-N-methyl-4-oxo-piperidinium
CID 11097569

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)piperidin-4-one?
The IUPAC name of 1-(3-methoxypropyl)piperidin-4-one (CID 18002008) is 1-(3-methoxypropyl)piperidin-4-one.
What is the SMILES notation for 1-(3-methoxypropyl)piperidin-4-one?
The canonical SMILES for 1-(3-methoxypropyl)piperidin-4-one is COCCCN1CCC(=O)CC1.
What is the InChIKey of 1-(3-methoxypropyl)piperidin-4-one?
The InChIKey is QFWBXLYVHOMANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-12-8-2-5-10-6-3-9(11)4-7-10/h2-8H2,1H3.
What are the key properties of 1-(3-methoxypropyl)piperidin-4-one?
1-(3-methoxypropyl)piperidin-4-one has a molecular weight of 171.24 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)piperidin-4-one is sourced from PubChem (CID 18002008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).