5-bromo-1-[4-(diethylamino)piperidin-1-yl]pentan-1-one

C14H27BrN2O — CID 114014883

IUPAC5-bromo-1-[4-(diethylamino)piperidin-1-yl]pentan-1-one
SMILESCCN(CC)C1CCN(C(=O)CCCCBr)CC1
InChIInChI=1S/C14H27BrN2O/c1-3-16(4-2)13-8-11-17(12-9-13)14(18)7-5-6-10-15/h13H,3-12H2,1-2H3
InChIKeyXIVKSAXHBOUAIS-UHFFFAOYSA-N
MW319.29 g/mol
LogP2.88
Rot. Bonds7

About 5-bromo-1-[4-(diethylamino)piperidin-1-yl]pentan-1-one

5-bromo-1-[4-(diethylamino)piperidin-1-yl]pentan-1-one (PubChem CID 114014883) has the molecular formula C14H27BrN2O and a molecular weight of 319.29 g/mol. Its IUPAC name is 5-bromo-1-[4-(diethylamino)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name5-bromo-1-[4-(diethylamino)piperidin-1-yl]pentan-1-one
PubChem CID114014883
Molecular FormulaC14H27BrN2O
Molecular Weight319.29 g/mol
Exact Mass318.13
IUPAC Name5-bromo-1-[4-(diethylamino)piperidin-1-yl]pentan-1-one
SMILESCCN(CC)C1CCN(C(=O)CCCCBr)CC1
InChIInChI=1S/C14H27BrN2O/c1-3-16(4-2)13-8-11-17(12-9-13)14(18)7-5-6-10-15/h13H,3-12H2,1-2H3
InChIKeyXIVKSAXHBOUAIS-UHFFFAOYSA-N
XLogP2.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-[4-(diethylamino)piperidin-1-yl]propan-1-one
CID 60952932
5-bromo-1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 107908012
6-amino-1-[3-(diethylamino)pyrrolidin-1-yl]hexan-1-one
CID 55157992
ethyl 1-(5-bromopentanoyl)piperidine-4-carboxylate
CID 114014584
1-(4-aminopiperidin-1-yl)-4-[cyclohexyl(ethyl)amino]butan-1-one
CID 92924220
N-[1-(5-bromopentanoyl)piperidin-4-yl]-2-methoxyacetamide
CID 114014853
1-[4-(diethylamino)piperidin-1-yl]-2-piperazin-1-ylethanone
CID 60954210
1-(4-methylpiperidin-1-yl)tetradecan-1-one
CID 10425459
5-bromo-1-(3,5-dimethylpiperidin-1-yl)pentan-1-one
CID 107907086
1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one
CID 80677529
5-bromo-1-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-1-one
CID 107910170
1-(4-bromopiperidin-1-yl)decan-1-one
CID 80661862

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[4-(diethylamino)piperidin-1-yl]pentan-1-one?
The IUPAC name of 5-bromo-1-[4-(diethylamino)piperidin-1-yl]pentan-1-one (CID 114014883) is 5-bromo-1-[4-(diethylamino)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 5-bromo-1-[4-(diethylamino)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 5-bromo-1-[4-(diethylamino)piperidin-1-yl]pentan-1-one is CCN(CC)C1CCN(C(=O)CCCCBr)CC1.
What is the InChIKey of 5-bromo-1-[4-(diethylamino)piperidin-1-yl]pentan-1-one?
The InChIKey is XIVKSAXHBOUAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrN2O/c1-3-16(4-2)13-8-11-17(12-9-13)14(18)7-5-6-10-15/h13H,3-12H2,1-2H3.
What are the key properties of 5-bromo-1-[4-(diethylamino)piperidin-1-yl]pentan-1-one?
5-bromo-1-[4-(diethylamino)piperidin-1-yl]pentan-1-one has a molecular weight of 319.29 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[4-(diethylamino)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 114014883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).