4-(dibutylamino)piperidine-1-carbonyl chloride

C14H27ClN2O — CID 15700342

IUPAC4-(dibutylamino)piperidine-1-carbonyl chloride
SMILESCCCCN(CCCC)C1CCN(C(=O)Cl)CC1
InChIInChI=1S/C14H27ClN2O/c1-3-5-9-16(10-6-4-2)13-7-11-17(12-8-13)14(15)18/h13H,3-12H2,1-2H3
InChIKeyDXPZAALWZYYOED-UHFFFAOYSA-N
MW274.84 g/mol
LogP3.71
Rot. Bonds7

About 4-(dibutylamino)piperidine-1-carbonyl chloride

4-(dibutylamino)piperidine-1-carbonyl chloride (PubChem CID 15700342) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is 4-(dibutylamino)piperidine-1-carbonyl chloride.

Molecular Properties

Compound Name4-(dibutylamino)piperidine-1-carbonyl chloride
PubChem CID15700342
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC Name4-(dibutylamino)piperidine-1-carbonyl chloride
SMILESCCCCN(CCCC)C1CCN(C(=O)Cl)CC1
InChIInChI=1S/C14H27ClN2O/c1-3-5-9-16(10-6-4-2)13-7-11-17(12-8-13)14(15)18/h13H,3-12H2,1-2H3
InChIKeyDXPZAALWZYYOED-UHFFFAOYSA-N
XLogP3.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-Piperidinopiperidine-1-carbonyl chloride
CID 9813375
Cyclohexylethylcarbamoyl chloride
CID 11332952
2,6-Dimethylpiperidine-1-carbonyl chloride
CID 19070661
2-Ethylpiperidine-1-carbonyl chloride
CID 79001866
rac-(2R,6S)-2,6-dimethylpiperidine-1-carbonyl chloride
CID 94968704
1,3,3-Trimethyl-1-(1-methylpiperidin-4-yl)urea hydrochloride
CID 145915357
1-Chlorocarbonyl-4-piperidinopiperidine hydrochloride
CID 11637553
4-(Dimethylamino)piperidine-1-carbonyl fluoride
CID 138493209
4-[Ethyl(methyl)amino]piperidine-1-carbonyl fluoride
CID 155739276
1-(4-(Dimethylamino)piperidin-1-yl)ethanone
CID 20754711
1-[4-(Diethylamino)piperidin-1-yl]ethanone
CID 61243591
1-[4-(Dibutylamino)piperidin-1-yl]ethanone
CID 101156258

Frequently Asked Questions

What is the IUPAC name of 4-(dibutylamino)piperidine-1-carbonyl chloride?
The IUPAC name of 4-(dibutylamino)piperidine-1-carbonyl chloride (CID 15700342) is 4-(dibutylamino)piperidine-1-carbonyl chloride.
What is the SMILES notation for 4-(dibutylamino)piperidine-1-carbonyl chloride?
The canonical SMILES for 4-(dibutylamino)piperidine-1-carbonyl chloride is CCCCN(CCCC)C1CCN(C(=O)Cl)CC1.
What is the InChIKey of 4-(dibutylamino)piperidine-1-carbonyl chloride?
The InChIKey is DXPZAALWZYYOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClN2O/c1-3-5-9-16(10-6-4-2)13-7-11-17(12-8-13)14(15)18/h13H,3-12H2,1-2H3.
What are the key properties of 4-(dibutylamino)piperidine-1-carbonyl chloride?
4-(dibutylamino)piperidine-1-carbonyl chloride has a molecular weight of 274.84 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibutylamino)piperidine-1-carbonyl chloride is sourced from PubChem (CID 15700342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).