2-ethyl-6-methyl-3-(3-phenylpropoxy)piperidine

C17H27NO — CID 103175086

IUPAC2-ethyl-6-methyl-3-(3-phenylpropoxy)piperidine
SMILESCCC1NC(C)CCC1OCCCc1ccccc1
InChIInChI=1S/C17H27NO/c1-3-16-17(12-11-14(2)18-16)19-13-7-10-15-8-5-4-6-9-15/h4-6,8-9,14,16-18H,3,7,10-13H2,1-2H3
InChIKeyYZOIACWJYVXPCC-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.55
Rot. Bonds6

About 2-ethyl-6-methyl-3-(3-phenylpropoxy)piperidine

2-ethyl-6-methyl-3-(3-phenylpropoxy)piperidine (PubChem CID 103175086) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-ethyl-6-methyl-3-(3-phenylpropoxy)piperidine.

Molecular Properties

Compound Name2-ethyl-6-methyl-3-(3-phenylpropoxy)piperidine
PubChem CID103175086
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-ethyl-6-methyl-3-(3-phenylpropoxy)piperidine
SMILESCCC1NC(C)CCC1OCCCc1ccccc1
InChIInChI=1S/C17H27NO/c1-3-16-17(12-11-14(2)18-16)19-13-7-10-15-8-5-4-6-9-15/h4-6,8-9,14,16-18H,3,7,10-13H2,1-2H3
InChIKeyYZOIACWJYVXPCC-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.55
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-(4-phenylbutoxy)piperidine
CID 103175112
2-ethyl-3-[2-(4-methoxyphenyl)ethoxy]-6-methylpiperidine
CID 103174993
ethane;3-(2-methylcyclopentyl)oxypropylbenzene
CID 145106111
2-(3-phenylpropoxy)cyclopentane-1-carboxylic acid
CID 114989996
3-[2-(cyclopropylmethoxy)ethoxy]propylbenzene
CID 54112131
3-decoxypropylbenzene
CID 150065328
3-(3-phenylpropoxy)cyclopentan-1-ol
CID 79632249
(3R)-1-ethylsulfonyl-3-(3-phenylpropoxy)pyrrolidine
CID 96563395
2,2-diethyl-3-(3-phenylpropoxy)cyclobutan-1-ol
CID 66344797
3-(3-chloro-2-ethyl-2-methylcyclobutyl)oxypropylbenzene
CID 66344311
3-[1-(bromomethyl)-4-ethylcyclohexyl]oxypropylbenzene
CID 63474419
6-ethoxyhexylbenzene
CID 54300935

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-3-(3-phenylpropoxy)piperidine?
The IUPAC name of 2-ethyl-6-methyl-3-(3-phenylpropoxy)piperidine (CID 103175086) is 2-ethyl-6-methyl-3-(3-phenylpropoxy)piperidine.
What is the SMILES notation for 2-ethyl-6-methyl-3-(3-phenylpropoxy)piperidine?
The canonical SMILES for 2-ethyl-6-methyl-3-(3-phenylpropoxy)piperidine is CCC1NC(C)CCC1OCCCc1ccccc1.
What is the InChIKey of 2-ethyl-6-methyl-3-(3-phenylpropoxy)piperidine?
The InChIKey is YZOIACWJYVXPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-16-17(12-11-14(2)18-16)19-13-7-10-15-8-5-4-6-9-15/h4-6,8-9,14,16-18H,3,7,10-13H2,1-2H3.
What are the key properties of 2-ethyl-6-methyl-3-(3-phenylpropoxy)piperidine?
2-ethyl-6-methyl-3-(3-phenylpropoxy)piperidine has a molecular weight of 261.41 g/mol, XLogP of 3.55, 6 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-(3-phenylpropoxy)piperidine is sourced from PubChem (CID 103175086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).