4-(2-chloroethoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine

C13H26ClNO2 — CID 112591845

IUPAC4-(2-chloroethoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
SMILESCC(C)(C)OCCN1CCC(OCCCl)CC1
InChIInChI=1S/C13H26ClNO2/c1-13(2,3)17-11-9-15-7-4-12(5-8-15)16-10-6-14/h12H,4-11H2,1-3H3
InChIKeyJTLWBWLINRZCCI-UHFFFAOYSA-N
MW263.81 g/mol
LogP2.52
Rot. Bonds6

About 4-(2-chloroethoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine

4-(2-chloroethoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine (PubChem CID 112591845) has the molecular formula C13H26ClNO2 and a molecular weight of 263.81 g/mol. Its IUPAC name is 4-(2-chloroethoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine.

Molecular Properties

Compound Name4-(2-chloroethoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
PubChem CID112591845
Molecular FormulaC13H26ClNO2
Molecular Weight263.81 g/mol
Exact Mass263.17
IUPAC Name4-(2-chloroethoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
SMILESCC(C)(C)OCCN1CCC(OCCCl)CC1
InChIInChI=1S/C13H26ClNO2/c1-13(2,3)17-11-9-15-7-4-12(5-8-15)16-10-6-14/h12H,4-11H2,1-3H3
InChIKeyJTLWBWLINRZCCI-UHFFFAOYSA-N
XLogP2.52
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-chloroethoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]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

4-(2-Chloroethoxy)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 82701438
4-(2-Chloroethoxy)-1-[2-(trifluoromethoxy)ethyl]piperidine
CID 82701810
6-(Chloromethyl)-2,2-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine
CID 114780461
4-(2-Chloroethoxy)-1-methylpiperidine
CID 18736353
4-Methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 57845691
4-(2-Chloroethyl)-2,2,6-trimethylmorpholine
CID 61956225
1-[1-(1-Chloro-2-methylpropan-2-yl)oxypropan-2-yl]piperidine
CID 67895532
1-(2-Methoxyethyl)-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 118688857
4-Methoxy-1-(2-methoxy-2-methylpropyl)piperidine
CID 156242765
4-[(2-Methylpropan-2-yl)oxy]-1-(2-propoxyethyl)piperidine
CID 157067481
1-(2-Ethoxyethyl)-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 166567443
4-[(2-Methylpropan-2-yl)oxy]-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 172209100

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine?
The IUPAC name of 4-(2-chloroethoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine (CID 112591845) is 4-(2-chloroethoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine.
What is the SMILES notation for 4-(2-chloroethoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine?
The canonical SMILES for 4-(2-chloroethoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine is CC(C)(C)OCCN1CCC(OCCCl)CC1.
What is the InChIKey of 4-(2-chloroethoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine?
The InChIKey is JTLWBWLINRZCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClNO2/c1-13(2,3)17-11-9-15-7-4-12(5-8-15)16-10-6-14/h12H,4-11H2,1-3H3.
What are the key properties of 4-(2-chloroethoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine?
4-(2-chloroethoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine has a molecular weight of 263.81 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine is sourced from PubChem (CID 112591845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).