4-(dipropylamino)piperidine-1-carbonyl chloride

C12H23ClN2O — CID 15700341

IUPAC4-(dipropylamino)piperidine-1-carbonyl chloride
SMILESCCCN(CCC)C1CCN(C(=O)Cl)CC1
InChIInChI=1S/C12H23ClN2O/c1-3-7-14(8-4-2)11-5-9-15(10-6-11)12(13)16/h11H,3-10H2,1-2H3
InChIKeyCADLNGKRRCTEQO-UHFFFAOYSA-N
MW246.78 g/mol
LogP2.93
Rot. Bonds5

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

4-(dipropylamino)piperidine-1-carbonyl chloride (PubChem CID 15700341) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is 4-(dipropylamino)piperidine-1-carbonyl chloride.

Molecular Properties

Compound Name4-(dipropylamino)piperidine-1-carbonyl chloride
PubChem CID15700341
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Name4-(dipropylamino)piperidine-1-carbonyl chloride
SMILESCCCN(CCC)C1CCN(C(=O)Cl)CC1
InChIInChI=1S/C12H23ClN2O/c1-3-7-14(8-4-2)11-5-9-15(10-6-11)12(13)16/h11H,3-10H2,1-2H3
InChIKeyCADLNGKRRCTEQO-UHFFFAOYSA-N
XLogP2.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 52.93
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'}

Analyze 4-(dipropylamino)piperidine-1-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(dipropylamino)piperidine-1-carbonyl chloride?
The IUPAC name of 4-(dipropylamino)piperidine-1-carbonyl chloride (CID 15700341) is 4-(dipropylamino)piperidine-1-carbonyl chloride.
What is the SMILES notation for 4-(dipropylamino)piperidine-1-carbonyl chloride?
The canonical SMILES for 4-(dipropylamino)piperidine-1-carbonyl chloride is CCCN(CCC)C1CCN(C(=O)Cl)CC1.
What is the InChIKey of 4-(dipropylamino)piperidine-1-carbonyl chloride?
The InChIKey is CADLNGKRRCTEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN2O/c1-3-7-14(8-4-2)11-5-9-15(10-6-11)12(13)16/h11H,3-10H2,1-2H3.
What are the key properties of 4-(dipropylamino)piperidine-1-carbonyl chloride?
4-(dipropylamino)piperidine-1-carbonyl chloride has a molecular weight of 246.78 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)piperidine-1-carbonyl chloride is sourced from PubChem (CID 15700341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).