2-chloro-1-(2-ethylpiperidin-1-yl)ethanone

C9H16ClNO — CID 4132411

IUPAC2-chloro-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)CCl
InChIInChI=1S/C9H16ClNO/c1-2-8-5-3-4-6-11(8)9(12)7-10/h8H,2-7H2,1H3
InChIKeyVZNWFNUBOBSJLK-UHFFFAOYSA-N
MW189.69 g/mol
LogP2.02
Rot. Bonds2

About 2-chloro-1-(2-ethylpiperidin-1-yl)ethanone

2-chloro-1-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 4132411) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 2-chloro-1-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(2-ethylpiperidin-1-yl)ethanone
PubChem CID4132411
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name2-chloro-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)CCl
InChIInChI=1S/C9H16ClNO/c1-2-8-5-3-4-6-11(8)9(12)7-10/h8H,2-7H2,1H3
InChIKeyVZNWFNUBOBSJLK-UHFFFAOYSA-N
XLogP2.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-chloro-1-(2-ethylpiperidin-1-yl)ethanone (CID 4132411) is 2-chloro-1-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-chloro-1-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1C(=O)CCl.
What is the InChIKey of 2-chloro-1-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is VZNWFNUBOBSJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-2-8-5-3-4-6-11(8)9(12)7-10/h8H,2-7H2,1H3.
What are the key properties of 2-chloro-1-(2-ethylpiperidin-1-yl)ethanone?
2-chloro-1-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 189.69 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 4132411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).