4-[4-ethyl-2-[2-(oxan-2-yloxy)ethoxy]phenyl]piperidine

C20H31NO3 — CID 58657920

IUPAC4-[4-ethyl-2-[2-(oxan-2-yloxy)ethoxy]phenyl]piperidine
SMILESCCc1ccc(C2CCNCC2)c(OCCOC2CCCCO2)c1
InChIInChI=1S/C20H31NO3/c1-2-16-6-7-18(17-8-10-21-11-9-17)19(15-16)22-13-14-24-20-5-3-4-12-23-20/h6-7,15,17,20-21H,2-5,8-14H2,1H3
InChIKeyDTHNBTVWZCNTII-UHFFFAOYSA-N
MW333.47 g/mol
LogP3.64
Rot. Bonds7

About 4-[4-ethyl-2-[2-(oxan-2-yloxy)ethoxy]phenyl]piperidine

4-[4-ethyl-2-[2-(oxan-2-yloxy)ethoxy]phenyl]piperidine (PubChem CID 58657920) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is 4-[4-ethyl-2-[2-(oxan-2-yloxy)ethoxy]phenyl]piperidine.

Molecular Properties

Compound Name4-[4-ethyl-2-[2-(oxan-2-yloxy)ethoxy]phenyl]piperidine
PubChem CID58657920
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name4-[4-ethyl-2-[2-(oxan-2-yloxy)ethoxy]phenyl]piperidine
SMILESCCc1ccc(C2CCNCC2)c(OCCOC2CCCCO2)c1
InChIInChI=1S/C20H31NO3/c1-2-16-6-7-18(17-8-10-21-11-9-17)19(15-16)22-13-14-24-20-5-3-4-12-23-20/h6-7,15,17,20-21H,2-5,8-14H2,1H3
InChIKeyDTHNBTVWZCNTII-UHFFFAOYSA-N
XLogP3.64
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(ethylamino)-3-[2-(oxan-2-yloxy)ethoxy]benzoate
CID 126507881
2-[2-(2-bromophenoxy)ethoxy]oxane
CID 11087925
2-(2-phenoxyethoxy)oxane
CID 11736193
ethyl 2-[5-amino-2-[2-(oxan-2-yloxy)ethoxy]phenoxy]acetate
CID 59442440
2-[3-(3-ethylphenyl)prop-2-ynoxy]oxane
CID 59407658
3,3-dimethyl-1-[2-methyl-4-[3-[3-methyl-4-[2-(oxan-2-yloxy)ethoxy]phenyl]pentan-3-yl]phenoxy]butan-2-ol
CID 10940205
(2S)-2-[3-(2-methoxyphenoxy)propoxy]oxane
CID 100761288
[3-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]methanol
CID 59552355
2-[2-(4-bromo-3-methylphenoxy)ethoxy]oxane
CID 67314274
ethyl 3-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]propanoate
CID 142646523
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
2-chloro-3-[2-(oxan-2-yloxy)ethoxy]benzoic acid
CID 146457189

Frequently Asked Questions

What is the IUPAC name of 4-[4-ethyl-2-[2-(oxan-2-yloxy)ethoxy]phenyl]piperidine?
The IUPAC name of 4-[4-ethyl-2-[2-(oxan-2-yloxy)ethoxy]phenyl]piperidine (CID 58657920) is 4-[4-ethyl-2-[2-(oxan-2-yloxy)ethoxy]phenyl]piperidine.
What is the SMILES notation for 4-[4-ethyl-2-[2-(oxan-2-yloxy)ethoxy]phenyl]piperidine?
The canonical SMILES for 4-[4-ethyl-2-[2-(oxan-2-yloxy)ethoxy]phenyl]piperidine is CCc1ccc(C2CCNCC2)c(OCCOC2CCCCO2)c1.
What is the InChIKey of 4-[4-ethyl-2-[2-(oxan-2-yloxy)ethoxy]phenyl]piperidine?
The InChIKey is DTHNBTVWZCNTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-2-16-6-7-18(17-8-10-21-11-9-17)19(15-16)22-13-14-24-20-5-3-4-12-23-20/h6-7,15,17,20-21H,2-5,8-14H2,1H3.
What are the key properties of 4-[4-ethyl-2-[2-(oxan-2-yloxy)ethoxy]phenyl]piperidine?
4-[4-ethyl-2-[2-(oxan-2-yloxy)ethoxy]phenyl]piperidine has a molecular weight of 333.47 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethyl-2-[2-(oxan-2-yloxy)ethoxy]phenyl]piperidine is sourced from PubChem (CID 58657920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).