4-[2-(4-ethylphenoxy)ethyl]-1-(4-methylpentyl)piperidine

C21H35NO — CID 146312573

IUPAC4-[2-(4-ethylphenoxy)ethyl]-1-(4-methylpentyl)piperidine
SMILESCCc1ccc(OCCC2CCN(CCCC(C)C)CC2)cc1
InChIInChI=1S/C21H35NO/c1-4-19-7-9-21(10-8-19)23-17-13-20-11-15-22(16-12-20)14-5-6-18(2)3/h7-10,18,20H,4-6,11-17H2,1-3H3
InChIKeyTXHVTUGMIWMSFJ-UHFFFAOYSA-N
MW317.52 g/mol
LogP5.17
Rot. Bonds9

About 4-[2-(4-ethylphenoxy)ethyl]-1-(4-methylpentyl)piperidine

4-[2-(4-ethylphenoxy)ethyl]-1-(4-methylpentyl)piperidine (PubChem CID 146312573) has the molecular formula C21H35NO and a molecular weight of 317.52 g/mol. Its IUPAC name is 4-[2-(4-ethylphenoxy)ethyl]-1-(4-methylpentyl)piperidine.

Molecular Properties

Compound Name4-[2-(4-ethylphenoxy)ethyl]-1-(4-methylpentyl)piperidine
PubChem CID146312573
Molecular FormulaC21H35NO
Molecular Weight317.52 g/mol
Exact Mass317.27
IUPAC Name4-[2-(4-ethylphenoxy)ethyl]-1-(4-methylpentyl)piperidine
SMILESCCc1ccc(OCCC2CCN(CCCC(C)C)CC2)cc1
InChIInChI=1S/C21H35NO/c1-4-19-7-9-21(10-8-19)23-17-13-20-11-15-22(16-12-20)14-5-6-18(2)3/h7-10,18,20H,4-6,11-17H2,1-3H3
InChIKeyTXHVTUGMIWMSFJ-UHFFFAOYSA-N
XLogP5.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.52
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylpentyl)-4-[2-(4-propylphenoxy)ethyl]piperidine
CID 166938631
4-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-1-pentylpiperidine
CID 167068129
4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine
CID 54415158
1-pentyl-3-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine
CID 67834138
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
1-(4-methylpentyl)-4-(3-propan-2-yloxypropyl)piperidine
CID 170372323
4-benzyl-1-(4-methylpentyl)piperidine
CID 155778719
ethane;1-[(4-ethylphenyl)methyl]-4-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]piperazine
CID 155740003
tert-butyl 4-[2-(4-ethylphenoxy)ethyl]piperidine-1-carboxylate
CID 143255517
1-(4-methylpentyl)-4-[2-(5-propan-2-yloxypentoxy)ethyl]piperidine
CID 154992758
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine
CID 54591726
1-ethyl-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 19739084

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethylphenoxy)ethyl]-1-(4-methylpentyl)piperidine?
The IUPAC name of 4-[2-(4-ethylphenoxy)ethyl]-1-(4-methylpentyl)piperidine (CID 146312573) is 4-[2-(4-ethylphenoxy)ethyl]-1-(4-methylpentyl)piperidine.
What is the SMILES notation for 4-[2-(4-ethylphenoxy)ethyl]-1-(4-methylpentyl)piperidine?
The canonical SMILES for 4-[2-(4-ethylphenoxy)ethyl]-1-(4-methylpentyl)piperidine is CCc1ccc(OCCC2CCN(CCCC(C)C)CC2)cc1.
What is the InChIKey of 4-[2-(4-ethylphenoxy)ethyl]-1-(4-methylpentyl)piperidine?
The InChIKey is TXHVTUGMIWMSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO/c1-4-19-7-9-21(10-8-19)23-17-13-20-11-15-22(16-12-20)14-5-6-18(2)3/h7-10,18,20H,4-6,11-17H2,1-3H3.
What are the key properties of 4-[2-(4-ethylphenoxy)ethyl]-1-(4-methylpentyl)piperidine?
4-[2-(4-ethylphenoxy)ethyl]-1-(4-methylpentyl)piperidine has a molecular weight of 317.52 g/mol, XLogP of 5.17, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethylphenoxy)ethyl]-1-(4-methylpentyl)piperidine is sourced from PubChem (CID 146312573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).