2-(2-ethylpiperidin-1-yl)propanoyl chloride

C10H18ClNO — CID 82040582

IUPAC2-(2-ethylpiperidin-1-yl)propanoyl chloride
SMILESCCC1CCCCN1C(C)C(=O)Cl
InChIInChI=1S/C10H18ClNO/c1-3-9-6-4-5-7-12(9)8(2)10(11)13/h8-9H,3-7H2,1-2H3
InChIKeyRBODWXPMEPLNDQ-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.40
Rot. Bonds3

About 2-(2-ethylpiperidin-1-yl)propanoyl chloride

2-(2-ethylpiperidin-1-yl)propanoyl chloride (PubChem CID 82040582) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)propanoyl chloride.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)propanoyl chloride
PubChem CID82040582
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name2-(2-ethylpiperidin-1-yl)propanoyl chloride
SMILESCCC1CCCCN1C(C)C(=O)Cl
InChIInChI=1S/C10H18ClNO/c1-3-9-6-4-5-7-12(9)8(2)10(11)13/h8-9H,3-7H2,1-2H3
InChIKeyRBODWXPMEPLNDQ-UHFFFAOYSA-N
XLogP2.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)propanoyl chloride?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)propanoyl chloride (CID 82040582) is 2-(2-ethylpiperidin-1-yl)propanoyl chloride.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)propanoyl chloride?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)propanoyl chloride is CCC1CCCCN1C(C)C(=O)Cl.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)propanoyl chloride?
The InChIKey is RBODWXPMEPLNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-3-9-6-4-5-7-12(9)8(2)10(11)13/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(2-ethylpiperidin-1-yl)propanoyl chloride?
2-(2-ethylpiperidin-1-yl)propanoyl chloride has a molecular weight of 203.71 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)propanoyl chloride is sourced from PubChem (CID 82040582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).