3-chloro-1-[2-(oxolan-2-yl)ethyl]piperidine

C11H20ClNO — CID 65165784

IUPAC3-chloro-1-[2-(oxolan-2-yl)ethyl]piperidine
SMILESClC1CCCN(CCC2CCCO2)C1
InChIInChI=1S/C11H20ClNO/c12-10-3-1-6-13(9-10)7-5-11-4-2-8-14-11/h10-11H,1-9H2
InChIKeyAKNWQIURLABOFE-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.26
Rot. Bonds3

About 3-chloro-1-[2-(oxolan-2-yl)ethyl]piperidine

3-chloro-1-[2-(oxolan-2-yl)ethyl]piperidine (PubChem CID 65165784) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 3-chloro-1-[2-(oxolan-2-yl)ethyl]piperidine.

Molecular Properties

Compound Name3-chloro-1-[2-(oxolan-2-yl)ethyl]piperidine
PubChem CID65165784
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name3-chloro-1-[2-(oxolan-2-yl)ethyl]piperidine
SMILESClC1CCCN(CCC2CCCO2)C1
InChIInChI=1S/C11H20ClNO/c12-10-3-1-6-13(9-10)7-5-11-4-2-8-14-11/h10-11H,1-9H2
InChIKeyAKNWQIURLABOFE-UHFFFAOYSA-N
XLogP2.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-methyl-1-[2-(oxolan-2-yl)ethyl]pyrrolidine
CID 131165985
4-[2-(oxolan-2-yl)ethyl]morpholine
CID 130172160
3-methyl-1-[2-(oxolan-2-yl)ethyl]piperidin-4-ol
CID 114502307
1-[2-(oxolan-2-yl)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 65162427
4-[2-(oxolan-2-yl)ethyl]morpholine-2-carboxylic acid
CID 65162198
N-[[1-[2-(oxolan-2-yl)ethyl]piperidin-3-yl]methyl]ethanamine
CID 65160987
3-(2-chloroethyl)-1-[3-(oxolan-2-yl)propyl]piperidine
CID 65165279
1-(2-bromoethyl)-4-[2-(oxolan-2-yl)ethyl]piperazine
CID 80673810
1-[2-(oxolan-2-yl)ethyl]piperidin-4-ol
CID 65165900
(3R)-1-[2-[(2R)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 129433486
N-[[1-[2-(oxolan-2-yl)ethyl]piperidin-3-yl]methyl]propan-1-amine
CID 65161038
1-[2-(oxolan-2-yl)ethyl]piperidine-4-carbaldehyde
CID 65165774

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[2-(oxolan-2-yl)ethyl]piperidine?
The IUPAC name of 3-chloro-1-[2-(oxolan-2-yl)ethyl]piperidine (CID 65165784) is 3-chloro-1-[2-(oxolan-2-yl)ethyl]piperidine.
What is the SMILES notation for 3-chloro-1-[2-(oxolan-2-yl)ethyl]piperidine?
The canonical SMILES for 3-chloro-1-[2-(oxolan-2-yl)ethyl]piperidine is ClC1CCCN(CCC2CCCO2)C1.
What is the InChIKey of 3-chloro-1-[2-(oxolan-2-yl)ethyl]piperidine?
The InChIKey is AKNWQIURLABOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c12-10-3-1-6-13(9-10)7-5-11-4-2-8-14-11/h10-11H,1-9H2.
What are the key properties of 3-chloro-1-[2-(oxolan-2-yl)ethyl]piperidine?
3-chloro-1-[2-(oxolan-2-yl)ethyl]piperidine has a molecular weight of 217.74 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[2-(oxolan-2-yl)ethyl]piperidine is sourced from PubChem (CID 65165784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).