3-(2-chloroethyl)-1-[3-(oxolan-2-yl)propyl]piperidine

C14H26ClNO — CID 65165279

IUPAC3-(2-chloroethyl)-1-[3-(oxolan-2-yl)propyl]piperidine
SMILESClCCC1CCCN(CCCC2CCCO2)C1
InChIInChI=1S/C14H26ClNO/c15-8-7-13-4-1-9-16(12-13)10-2-5-14-6-3-11-17-14/h13-14H,1-12H2
InChIKeyFJUYQBCHDWQPQA-UHFFFAOYSA-N
MW259.82 g/mol
LogP3.29
Rot. Bonds6

About 3-(2-chloroethyl)-1-[3-(oxolan-2-yl)propyl]piperidine

3-(2-chloroethyl)-1-[3-(oxolan-2-yl)propyl]piperidine (PubChem CID 65165279) has the molecular formula C14H26ClNO and a molecular weight of 259.82 g/mol. Its IUPAC name is 3-(2-chloroethyl)-1-[3-(oxolan-2-yl)propyl]piperidine.

Molecular Properties

Compound Name3-(2-chloroethyl)-1-[3-(oxolan-2-yl)propyl]piperidine
PubChem CID65165279
Molecular FormulaC14H26ClNO
Molecular Weight259.82 g/mol
Exact Mass259.17
IUPAC Name3-(2-chloroethyl)-1-[3-(oxolan-2-yl)propyl]piperidine
SMILESClCCC1CCCN(CCCC2CCCO2)C1
InChIInChI=1S/C14H26ClNO/c15-8-7-13-4-1-9-16(12-13)10-2-5-14-6-3-11-17-14/h13-14H,1-12H2
InChIKeyFJUYQBCHDWQPQA-UHFFFAOYSA-N
XLogP3.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.82
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-chloroethyl)-1-[3-(oxolan-2-yl)propyl]piperidine with MolForge

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

Launch Full Analysis

Related Compounds

[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methanol
CID 65166006
N-[[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methyl]propan-2-amine
CID 65161095
(3S)-1-[3-(oxolan-2-yl)propyl]pyrrolidin-3-amine
CID 115302471
1-[3-(oxolan-2-yl)propyl]piperidin-4-amine
CID 65159918
3-(2-chloroethyl)-1-(4,4,4-trifluorobutyl)piperidine
CID 115518381
3-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine
CID 63386733
3-chloro-1-[2-(oxolan-2-yl)ethyl]piperidine
CID 65165784
(3R,4S)-1-[3-(oxolan-2-yl)propyl]pyrrolidine-3,4-diol
CID 79410973
[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]methanamine
CID 65158902
2-[4-[3-(oxolan-2-yl)propyl]-1,4-diazepan-1-yl]ethanol
CID 65166537
1-(2-butoxyethyl)-3-(2-chloroethyl)piperidine
CID 63388194
N-[[1-[2-(oxolan-2-yl)ethyl]piperidin-3-yl]methyl]ethanamine
CID 65160987

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-1-[3-(oxolan-2-yl)propyl]piperidine?
The IUPAC name of 3-(2-chloroethyl)-1-[3-(oxolan-2-yl)propyl]piperidine (CID 65165279) is 3-(2-chloroethyl)-1-[3-(oxolan-2-yl)propyl]piperidine.
What is the SMILES notation for 3-(2-chloroethyl)-1-[3-(oxolan-2-yl)propyl]piperidine?
The canonical SMILES for 3-(2-chloroethyl)-1-[3-(oxolan-2-yl)propyl]piperidine is ClCCC1CCCN(CCCC2CCCO2)C1.
What is the InChIKey of 3-(2-chloroethyl)-1-[3-(oxolan-2-yl)propyl]piperidine?
The InChIKey is FJUYQBCHDWQPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO/c15-8-7-13-4-1-9-16(12-13)10-2-5-14-6-3-11-17-14/h13-14H,1-12H2.
What are the key properties of 3-(2-chloroethyl)-1-[3-(oxolan-2-yl)propyl]piperidine?
3-(2-chloroethyl)-1-[3-(oxolan-2-yl)propyl]piperidine has a molecular weight of 259.82 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-1-[3-(oxolan-2-yl)propyl]piperidine is sourced from PubChem (CID 65165279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).