2-ethyl-6-methyl-3-(4-phenylbutoxy)piperidine

C18H29NO — CID 103175112

IUPAC2-ethyl-6-methyl-3-(4-phenylbutoxy)piperidine
SMILESCCC1NC(C)CCC1OCCCCc1ccccc1
InChIInChI=1S/C18H29NO/c1-3-17-18(13-12-15(2)19-17)20-14-8-7-11-16-9-5-4-6-10-16/h4-6,9-10,15,17-19H,3,7-8,11-14H2,1-2H3
InChIKeyKPIRSCLMKRUGGF-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.94
Rot. Bonds7

About 2-ethyl-6-methyl-3-(4-phenylbutoxy)piperidine

2-ethyl-6-methyl-3-(4-phenylbutoxy)piperidine (PubChem CID 103175112) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-ethyl-6-methyl-3-(4-phenylbutoxy)piperidine.

Molecular Properties

Compound Name2-ethyl-6-methyl-3-(4-phenylbutoxy)piperidine
PubChem CID103175112
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-ethyl-6-methyl-3-(4-phenylbutoxy)piperidine
SMILESCCC1NC(C)CCC1OCCCCc1ccccc1
InChIInChI=1S/C18H29NO/c1-3-17-18(13-12-15(2)19-17)20-14-8-7-11-16-9-5-4-6-10-16/h4-6,9-10,15,17-19H,3,7-8,11-14H2,1-2H3
InChIKeyKPIRSCLMKRUGGF-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-6-methyl-3-(3-phenylpropoxy)piperidine
CID 103175086
2-ethyl-3-[2-(4-methoxyphenyl)ethoxy]-6-methylpiperidine
CID 103174993
ethane;3-(2-methylcyclopentyl)oxypropylbenzene
CID 145106111
6-ethoxyhexylbenzene
CID 54300935
8-(8-phenyloctoxy)octylbenzene
CID 56628536
10-butoxydecylbenzene
CID 151496754
14-propoxytetradecylbenzene
CID 126562833
6-propoxyhexylbenzene
CID 54255597
4-octadecoxybutylbenzene
CID 70977182
5-pentoxypentylbenzene
CID 19046566
4-(4-phenylbutoxy)-N-propylcyclohexan-1-amine
CID 114333026
2-(3-phenylpropoxy)cyclopentane-1-carboxylic acid
CID 114989996

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-3-(4-phenylbutoxy)piperidine?
The IUPAC name of 2-ethyl-6-methyl-3-(4-phenylbutoxy)piperidine (CID 103175112) is 2-ethyl-6-methyl-3-(4-phenylbutoxy)piperidine.
What is the SMILES notation for 2-ethyl-6-methyl-3-(4-phenylbutoxy)piperidine?
The canonical SMILES for 2-ethyl-6-methyl-3-(4-phenylbutoxy)piperidine is CCC1NC(C)CCC1OCCCCc1ccccc1.
What is the InChIKey of 2-ethyl-6-methyl-3-(4-phenylbutoxy)piperidine?
The InChIKey is KPIRSCLMKRUGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-17-18(13-12-15(2)19-17)20-14-8-7-11-16-9-5-4-6-10-16/h4-6,9-10,15,17-19H,3,7-8,11-14H2,1-2H3.
What are the key properties of 2-ethyl-6-methyl-3-(4-phenylbutoxy)piperidine?
2-ethyl-6-methyl-3-(4-phenylbutoxy)piperidine has a molecular weight of 275.44 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-3-(4-phenylbutoxy)piperidine is sourced from PubChem (CID 103175112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).