1-(2-butoxyethyl)-3-(2-chloroethyl)piperidine

C13H26ClNO — CID 63388194

IUPAC1-(2-butoxyethyl)-3-(2-chloroethyl)piperidine
SMILESCCCCOCCN1CCCC(CCCl)C1
InChIInChI=1S/C13H26ClNO/c1-2-3-10-16-11-9-15-8-4-5-13(12-15)6-7-14/h13H,2-12H2,1H3
InChIKeyDJHUFJUZSRIAFY-UHFFFAOYSA-N
MW247.81 g/mol
LogP3.14
Rot. Bonds8

About 1-(2-butoxyethyl)-3-(2-chloroethyl)piperidine

1-(2-butoxyethyl)-3-(2-chloroethyl)piperidine (PubChem CID 63388194) has the molecular formula C13H26ClNO and a molecular weight of 247.81 g/mol. Its IUPAC name is 1-(2-butoxyethyl)-3-(2-chloroethyl)piperidine.

Molecular Properties

Compound Name1-(2-butoxyethyl)-3-(2-chloroethyl)piperidine
PubChem CID63388194
Molecular FormulaC13H26ClNO
Molecular Weight247.81 g/mol
Exact Mass247.17
IUPAC Name1-(2-butoxyethyl)-3-(2-chloroethyl)piperidine
SMILESCCCCOCCN1CCCC(CCCl)C1
InChIInChI=1S/C13H26ClNO/c1-2-3-10-16-11-9-15-8-4-5-13(12-15)6-7-14/h13H,2-12H2,1H3
InChIKeyDJHUFJUZSRIAFY-UHFFFAOYSA-N
XLogP3.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.81
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloroethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 103183960
3-(2-chloroethyl)-1-(2-methoxyethyl)piperidine
CID 63388660
N-[[1-(2-butoxyethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 55220646
2-[1-(2-butoxyethyl)pyrrolidin-3-yl]ethanamine
CID 114802527
3-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 103183947
1,3-di(tridecyl)piperidine
CID 162511834
3-butyl-1-dodecylpiperidine
CID 171569666
3-butyl-1-decylpiperidine;hydrochloride
CID 175874858
3-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 104567099
3-(2-chloroethyl)-1-(4,4,4-trifluorobutyl)piperidine
CID 115518381
1-(2-butoxyethyl)-4-(2-chloroethyl)piperazine
CID 63386670
3-butyl-1-pentylpiperidine;formonitrile
CID 175874905

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethyl)-3-(2-chloroethyl)piperidine?
The IUPAC name of 1-(2-butoxyethyl)-3-(2-chloroethyl)piperidine (CID 63388194) is 1-(2-butoxyethyl)-3-(2-chloroethyl)piperidine.
What is the SMILES notation for 1-(2-butoxyethyl)-3-(2-chloroethyl)piperidine?
The canonical SMILES for 1-(2-butoxyethyl)-3-(2-chloroethyl)piperidine is CCCCOCCN1CCCC(CCCl)C1.
What is the InChIKey of 1-(2-butoxyethyl)-3-(2-chloroethyl)piperidine?
The InChIKey is DJHUFJUZSRIAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClNO/c1-2-3-10-16-11-9-15-8-4-5-13(12-15)6-7-14/h13H,2-12H2,1H3.
What are the key properties of 1-(2-butoxyethyl)-3-(2-chloroethyl)piperidine?
1-(2-butoxyethyl)-3-(2-chloroethyl)piperidine has a molecular weight of 247.81 g/mol, XLogP of 3.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)-3-(2-chloroethyl)piperidine is sourced from PubChem (CID 63388194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).