carbamoyl chloride;N,N-diethylpiperidin-4-amine

C10H22ClN3O — CID 86635545

IUPACcarbamoyl chloride;N,N-diethylpiperidin-4-amine
SMILESCCN(CC)C1CCNCC1.NC(=O)Cl
InChIInChI=1S/C9H20N2.CH2ClNO/c1-3-11(4-2)9-5-7-10-8-6-9;2-1(3)4/h9-10H,3-8H2,1-2H3;(H2,3,4)
InChIKeyKPPGQTRSXWEGJU-UHFFFAOYSA-N
MW235.76 g/mol
LogP1.38
Rot. Bonds3

About carbamoyl chloride;N,N-diethylpiperidin-4-amine

carbamoyl chloride;N,N-diethylpiperidin-4-amine (PubChem CID 86635545) has the molecular formula C10H22ClN3O and a molecular weight of 235.76 g/mol. Its IUPAC name is carbamoyl chloride;N,N-diethylpiperidin-4-amine.

Molecular Properties

Compound Namecarbamoyl chloride;N,N-diethylpiperidin-4-amine
PubChem CID86635545
Molecular FormulaC10H22ClN3O
Molecular Weight235.76 g/mol
Exact Mass235.15
IUPAC Namecarbamoyl chloride;N,N-diethylpiperidin-4-amine
SMILESCCN(CC)C1CCNCC1.NC(=O)Cl
InChIInChI=1S/C9H20N2.CH2ClNO/c1-3-11(4-2)9-5-7-10-8-6-9;2-1(3)4/h9-10H,3-8H2,1-2H3;(H2,3,4)
InChIKeyKPPGQTRSXWEGJU-UHFFFAOYSA-N
XLogP1.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze carbamoyl chloride;N,N-diethylpiperidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbamoyl chloride;N,N-diethylpiperidin-4-amine?
The IUPAC name of carbamoyl chloride;N,N-diethylpiperidin-4-amine (CID 86635545) is carbamoyl chloride;N,N-diethylpiperidin-4-amine.
What is the SMILES notation for carbamoyl chloride;N,N-diethylpiperidin-4-amine?
The canonical SMILES for carbamoyl chloride;N,N-diethylpiperidin-4-amine is CCN(CC)C1CCNCC1.NC(=O)Cl.
What is the InChIKey of carbamoyl chloride;N,N-diethylpiperidin-4-amine?
The InChIKey is KPPGQTRSXWEGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.CH2ClNO/c1-3-11(4-2)9-5-7-10-8-6-9;2-1(3)4/h9-10H,3-8H2,1-2H3;(H2,3,4).
What are the key properties of carbamoyl chloride;N,N-diethylpiperidin-4-amine?
carbamoyl chloride;N,N-diethylpiperidin-4-amine has a molecular weight of 235.76 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl chloride;N,N-diethylpiperidin-4-amine is sourced from PubChem (CID 86635545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).