1-[2-(2-butylphenoxy)ethyl]piperidine

C17H27NO — CID 5129730

IUPAC1-[2-(2-butylphenoxy)ethyl]piperidine
SMILESCCCCc1ccccc1OCCN1CCCCC1
InChIInChI=1S/C17H27NO/c1-2-3-9-16-10-5-6-11-17(16)19-15-14-18-12-7-4-8-13-18/h5-6,10-11H,2-4,7-9,12-15H2,1H3
InChIKeyXXOSUSLYNOLADM-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.89
Rot. Bonds7

About 1-[2-(2-butylphenoxy)ethyl]piperidine

1-[2-(2-butylphenoxy)ethyl]piperidine (PubChem CID 5129730) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[2-(2-butylphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(2-butylphenoxy)ethyl]piperidine
PubChem CID5129730
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[2-(2-butylphenoxy)ethyl]piperidine
SMILESCCCCc1ccccc1OCCN1CCCCC1
InChIInChI=1S/C17H27NO/c1-2-3-9-16-10-5-6-11-17(16)19-15-14-18-12-7-4-8-13-18/h5-6,10-11H,2-4,7-9,12-15H2,1H3
InChIKeyXXOSUSLYNOLADM-UHFFFAOYSA-N
XLogP3.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-octylphenoxy)ethyl]piperidine chloride
CID 21228798
1-[2-(2-propylphenoxy)ethyl]pyrrolidine
CID 173254301
N,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
CID 170866493
1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine
CID 170863761
2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 107713118
1-[2-(2-ethoxyphenyl)ethyl]piperidine
CID 21117435
1-[3-(2-ethylphenoxy)propyl]pyrrolidine
CID 2262767
1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine
CID 170863422
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
1-butyl-2-nonoxybenzene
CID 118255282
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butylphenoxy)ethyl]piperidine?
The IUPAC name of 1-[2-(2-butylphenoxy)ethyl]piperidine (CID 5129730) is 1-[2-(2-butylphenoxy)ethyl]piperidine.
What is the SMILES notation for 1-[2-(2-butylphenoxy)ethyl]piperidine?
The canonical SMILES for 1-[2-(2-butylphenoxy)ethyl]piperidine is CCCCc1ccccc1OCCN1CCCCC1.
What is the InChIKey of 1-[2-(2-butylphenoxy)ethyl]piperidine?
The InChIKey is XXOSUSLYNOLADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-3-9-16-10-5-6-11-17(16)19-15-14-18-12-7-4-8-13-18/h5-6,10-11H,2-4,7-9,12-15H2,1H3.
What are the key properties of 1-[2-(2-butylphenoxy)ethyl]piperidine?
1-[2-(2-butylphenoxy)ethyl]piperidine has a molecular weight of 261.41 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-butylphenoxy)ethyl]piperidine is sourced from PubChem (CID 5129730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).