4-pyrrolidin-1-ylpiperidine-1-carbonyl chloride

C10H17ClN2O — CID 15700343

IUPAC4-pyrrolidin-1-ylpiperidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C10H17ClN2O/c11-10(14)13-7-3-9(4-8-13)12-5-1-2-6-12/h9H,1-8H2
InChIKeyGAJKKZZOBFKCDW-UHFFFAOYSA-N
MW216.71 g/mol
LogP1.91
Rot. Bonds1

About 4-pyrrolidin-1-ylpiperidine-1-carbonyl chloride

4-pyrrolidin-1-ylpiperidine-1-carbonyl chloride (PubChem CID 15700343) has the molecular formula C10H17ClN2O and a molecular weight of 216.71 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylpiperidine-1-carbonyl chloride.

Molecular Properties

Compound Name4-pyrrolidin-1-ylpiperidine-1-carbonyl chloride
PubChem CID15700343
Molecular FormulaC10H17ClN2O
Molecular Weight216.71 g/mol
Exact Mass216.10
IUPAC Name4-pyrrolidin-1-ylpiperidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C10H17ClN2O/c11-10(14)13-7-3-9(4-8-13)12-5-1-2-6-12/h9H,1-8H2
InChIKeyGAJKKZZOBFKCDW-UHFFFAOYSA-N
XLogP1.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 51.91
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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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylpiperidine-1-carbonyl chloride?
The IUPAC name of 4-pyrrolidin-1-ylpiperidine-1-carbonyl chloride (CID 15700343) is 4-pyrrolidin-1-ylpiperidine-1-carbonyl chloride.
What is the SMILES notation for 4-pyrrolidin-1-ylpiperidine-1-carbonyl chloride?
The canonical SMILES for 4-pyrrolidin-1-ylpiperidine-1-carbonyl chloride is O=C(Cl)N1CCC(N2CCCC2)CC1.
What is the InChIKey of 4-pyrrolidin-1-ylpiperidine-1-carbonyl chloride?
The InChIKey is GAJKKZZOBFKCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O/c11-10(14)13-7-3-9(4-8-13)12-5-1-2-6-12/h9H,1-8H2.
What are the key properties of 4-pyrrolidin-1-ylpiperidine-1-carbonyl chloride?
4-pyrrolidin-1-ylpiperidine-1-carbonyl chloride has a molecular weight of 216.71 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylpiperidine-1-carbonyl chloride is sourced from PubChem (CID 15700343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).