4-(2-chloroethoxy)-1-(2-ethylhexyl)piperidine

C15H30ClNO — CID 82701804

IUPAC4-(2-chloroethoxy)-1-(2-ethylhexyl)piperidine
SMILESCCCCC(CC)CN1CCC(OCCCl)CC1
InChIInChI=1S/C15H30ClNO/c1-3-5-6-14(4-2)13-17-10-7-15(8-11-17)18-12-9-16/h14-15H,3-13H2,1-2H3
InChIKeyVZCRGXQZYFYOFG-UHFFFAOYSA-N
MW275.86 g/mol
LogP3.92
Rot. Bonds9

About 4-(2-chloroethoxy)-1-(2-ethylhexyl)piperidine

4-(2-chloroethoxy)-1-(2-ethylhexyl)piperidine (PubChem CID 82701804) has the molecular formula C15H30ClNO and a molecular weight of 275.86 g/mol. Its IUPAC name is 4-(2-chloroethoxy)-1-(2-ethylhexyl)piperidine.

Molecular Properties

Compound Name4-(2-chloroethoxy)-1-(2-ethylhexyl)piperidine
PubChem CID82701804
Molecular FormulaC15H30ClNO
Molecular Weight275.86 g/mol
Exact Mass275.20
IUPAC Name4-(2-chloroethoxy)-1-(2-ethylhexyl)piperidine
SMILESCCCCC(CC)CN1CCC(OCCCl)CC1
InChIInChI=1S/C15H30ClNO/c1-3-5-6-14(4-2)13-17-10-7-15(8-11-17)18-12-9-16/h14-15H,3-13H2,1-2H3
InChIKeyVZCRGXQZYFYOFG-UHFFFAOYSA-N
XLogP3.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.86
LogP ≤ 53.92
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

4-(1-chloroethyl)-1-(2-ethylhexyl)piperidine
CID 106837967
4-bromo-1-(2-ethylhexyl)piperidine
CID 80678889
1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane
CID 107817900
N-[[1-(2-ethylhexyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62592756
1-(4-ethylhexoxy)-4-methylcyclohexane
CID 123446750
2-[1-(2-ethylhexyl)pyrrolidin-3-yl]ethanol
CID 104627914
N-ethyl-1-(2-ethylhexyl)pyrrolidin-3-amine
CID 107815392
1-(2-ethylhexyl)-N,3-dimethylpiperidin-4-amine
CID 114499149
1-(2-ethylhexyl)pyrrolidine-3,4-diol
CID 106672045
4-butoxy-1-(5-methylhexyl)piperidine
CID 156530555
2-(chloromethyl)-4-(2-ethylhexyl)morpholine
CID 81210479
3-cyclopropyl-1-(2-ethylhexyl)piperazine
CID 64833817

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethoxy)-1-(2-ethylhexyl)piperidine?
The IUPAC name of 4-(2-chloroethoxy)-1-(2-ethylhexyl)piperidine (CID 82701804) is 4-(2-chloroethoxy)-1-(2-ethylhexyl)piperidine.
What is the SMILES notation for 4-(2-chloroethoxy)-1-(2-ethylhexyl)piperidine?
The canonical SMILES for 4-(2-chloroethoxy)-1-(2-ethylhexyl)piperidine is CCCCC(CC)CN1CCC(OCCCl)CC1.
What is the InChIKey of 4-(2-chloroethoxy)-1-(2-ethylhexyl)piperidine?
The InChIKey is VZCRGXQZYFYOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30ClNO/c1-3-5-6-14(4-2)13-17-10-7-15(8-11-17)18-12-9-16/h14-15H,3-13H2,1-2H3.
What are the key properties of 4-(2-chloroethoxy)-1-(2-ethylhexyl)piperidine?
4-(2-chloroethoxy)-1-(2-ethylhexyl)piperidine has a molecular weight of 275.86 g/mol, XLogP of 3.92, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethoxy)-1-(2-ethylhexyl)piperidine is sourced from PubChem (CID 82701804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).