anisole;1-ethyl-4-(2-phenoxyethyl)piperidine

C22H31NO2 — CID 174661948

IUPACanisole;1-ethyl-4-(2-phenoxyethyl)piperidine
SMILESCCN1CCC(CCOc2ccccc2)CC1.COc1ccccc1
InChIInChI=1S/C15H23NO.C7H8O/c1-2-16-11-8-14(9-12-16)10-13-17-15-6-4-3-5-7-15;1-8-7-5-3-2-4-6-7/h3-7,14H,2,8-13H2,1H3;2-6H,1H3
InChIKeyFRUIXSBVXQDDRL-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.88
Rot. Bonds6

About anisole;1-ethyl-4-(2-phenoxyethyl)piperidine

anisole;1-ethyl-4-(2-phenoxyethyl)piperidine (PubChem CID 174661948) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is anisole;1-ethyl-4-(2-phenoxyethyl)piperidine.

Molecular Properties

Compound Nameanisole;1-ethyl-4-(2-phenoxyethyl)piperidine
PubChem CID174661948
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Nameanisole;1-ethyl-4-(2-phenoxyethyl)piperidine
SMILESCCN1CCC(CCOc2ccccc2)CC1.COc1ccccc1
InChIInChI=1S/C15H23NO.C7H8O/c1-2-16-11-8-14(9-12-16)10-13-17-15-6-4-3-5-7-15;1-8-7-5-3-2-4-6-7/h3-7,14H,2,8-13H2,1H3;2-6H,1H3
InChIKeyFRUIXSBVXQDDRL-UHFFFAOYSA-N
XLogP4.88
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-(phenoxymethyl)piperidine
CID 91434819
1-[4-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 53150715
1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[2-(4-methoxyphenoxy)ethyl]guanidine
CID 111787423
1-ethyl-4-(3-phenoxypropyl)piperazine
CID 51072960
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037966
3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one
CID 53150681
3-ethyl-1-(3-phenoxypropyl)pyrrolidine
CID 126692357
N,N-dimethyl-2-[1-(3-phenoxypropyl)piperidin-4-yl]ethanamine
CID 19085410
4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine
CID 153398685
anisole;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole
CID 174390999
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100
1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyethyl)piperidine;2-(2-methoxyphenyl)-1-[4-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 162167070

Frequently Asked Questions

What is the IUPAC name of anisole;1-ethyl-4-(2-phenoxyethyl)piperidine?
The IUPAC name of anisole;1-ethyl-4-(2-phenoxyethyl)piperidine (CID 174661948) is anisole;1-ethyl-4-(2-phenoxyethyl)piperidine.
What is the SMILES notation for anisole;1-ethyl-4-(2-phenoxyethyl)piperidine?
The canonical SMILES for anisole;1-ethyl-4-(2-phenoxyethyl)piperidine is CCN1CCC(CCOc2ccccc2)CC1.COc1ccccc1.
What is the InChIKey of anisole;1-ethyl-4-(2-phenoxyethyl)piperidine?
The InChIKey is FRUIXSBVXQDDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.C7H8O/c1-2-16-11-8-14(9-12-16)10-13-17-15-6-4-3-5-7-15;1-8-7-5-3-2-4-6-7/h3-7,14H,2,8-13H2,1H3;2-6H,1H3.
What are the key properties of anisole;1-ethyl-4-(2-phenoxyethyl)piperidine?
anisole;1-ethyl-4-(2-phenoxyethyl)piperidine has a molecular weight of 341.50 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;1-ethyl-4-(2-phenoxyethyl)piperidine is sourced from PubChem (CID 174661948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).