3-[1-(2-cyclohexyloxyphenoxy)ethyl]piperidine

C19H29NO2 — CID 68596370

IUPAC3-[1-(2-cyclohexyloxyphenoxy)ethyl]piperidine
SMILESCC(Oc1ccccc1OC1CCCCC1)C1CCCNC1
InChIInChI=1S/C19H29NO2/c1-15(16-8-7-13-20-14-16)21-18-11-5-6-12-19(18)22-17-9-3-2-4-10-17/h5-6,11-12,15-17,20H,2-4,7-10,13-14H2,1H3
InChIKeyBEDCXEIOYRSLAV-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.16
Rot. Bonds5

About 3-[1-(2-cyclohexyloxyphenoxy)ethyl]piperidine

3-[1-(2-cyclohexyloxyphenoxy)ethyl]piperidine (PubChem CID 68596370) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-[1-(2-cyclohexyloxyphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name3-[1-(2-cyclohexyloxyphenoxy)ethyl]piperidine
PubChem CID68596370
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name3-[1-(2-cyclohexyloxyphenoxy)ethyl]piperidine
SMILESCC(Oc1ccccc1OC1CCCCC1)C1CCCNC1
InChIInChI=1S/C19H29NO2/c1-15(16-8-7-13-20-14-16)21-18-11-5-6-12-19(18)22-17-9-3-2-4-10-17/h5-6,11-12,15-17,20H,2-4,7-10,13-14H2,1H3
InChIKeyBEDCXEIOYRSLAV-UHFFFAOYSA-N
XLogP4.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-phenylmethoxyphenoxy)ethyl]piperidine
CID 68596615
3-[fluoro-(2-propan-2-yloxyphenyl)methyl]piperidine
CID 112565466
1,2-dicyclohexyloxybenzene
CID 67331328
3-[(2-cyclohexyloxyphenoxy)methyl]piperidine;hydrochloride
CID 68594805
piperidin-3-yl-(2-propan-2-yloxyphenyl)methanol
CID 80559408
3-(2-ethoxyphenoxy)piperidine;hydrochloride
CID 118366272
3-(2-iodophenoxy)piperidine
CID 56831165
4-[1-(2-methoxyphenoxy)ethyl]piperidine
CID 105496691
3-fluoro-4-(1-piperidin-3-ylethoxy)benzonitrile
CID 117096326
4-(2-methoxyphenoxy)-1-piperidin-3-ylpiperidine
CID 56713457
1-(2-cycloheptyloxyphenyl)-1,4-diazepane
CID 82925695
1-bromo-3-(1-cyclohexylethoxy)-2-methylbenzene
CID 126754344

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-cyclohexyloxyphenoxy)ethyl]piperidine?
The IUPAC name of 3-[1-(2-cyclohexyloxyphenoxy)ethyl]piperidine (CID 68596370) is 3-[1-(2-cyclohexyloxyphenoxy)ethyl]piperidine.
What is the SMILES notation for 3-[1-(2-cyclohexyloxyphenoxy)ethyl]piperidine?
The canonical SMILES for 3-[1-(2-cyclohexyloxyphenoxy)ethyl]piperidine is CC(Oc1ccccc1OC1CCCCC1)C1CCCNC1.
What is the InChIKey of 3-[1-(2-cyclohexyloxyphenoxy)ethyl]piperidine?
The InChIKey is BEDCXEIOYRSLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-15(16-8-7-13-20-14-16)21-18-11-5-6-12-19(18)22-17-9-3-2-4-10-17/h5-6,11-12,15-17,20H,2-4,7-10,13-14H2,1H3.
What are the key properties of 3-[1-(2-cyclohexyloxyphenoxy)ethyl]piperidine?
3-[1-(2-cyclohexyloxyphenoxy)ethyl]piperidine has a molecular weight of 303.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-cyclohexyloxyphenoxy)ethyl]piperidine is sourced from PubChem (CID 68596370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).