methane;2-methyl-1-(5-phenoxypentyl)piperidine

C18H31NO — CID 158922703

IUPACmethane;2-methyl-1-(5-phenoxypentyl)piperidine
SMILESC.CC1CCCCN1CCCCCOc1ccccc1
InChIInChI=1S/C17H27NO.CH4/c1-16-10-6-8-14-18(16)13-7-3-9-15-19-17-11-4-2-5-12-17;/h2,4-5,11-12,16H,3,6-10,13-15H2,1H3;1H4
InChIKeyJIAQHMIPGRJIJU-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.75
Rot. Bonds7

About methane;2-methyl-1-(5-phenoxypentyl)piperidine

methane;2-methyl-1-(5-phenoxypentyl)piperidine (PubChem CID 158922703) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is methane;2-methyl-1-(5-phenoxypentyl)piperidine.

Molecular Properties

Compound Namemethane;2-methyl-1-(5-phenoxypentyl)piperidine
PubChem CID158922703
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Namemethane;2-methyl-1-(5-phenoxypentyl)piperidine
SMILESC.CC1CCCCN1CCCCCOc1ccccc1
InChIInChI=1S/C17H27NO.CH4/c1-16-10-6-8-14-18(16)13-7-3-9-15-19-17-11-4-2-5-12-17;/h2,4-5,11-12,16H,3,6-10,13-15H2,1H3;1H4
InChIKeyJIAQHMIPGRJIJU-UHFFFAOYSA-N
XLogP4.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylpiperidin-1-yl)propyl 2-phenoxyacetate;hydrochloride
CID 138401109
2-methyl-1-[6-(2-methylphenoxy)hexyl]piperidine
CID 16616246
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
1-(5-phenoxypentyl)piperidine-2-carboxylic acid
CID 122040490
[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 43253349
(2R)-1-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperidine
CID 166625466
[(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol
CID 14517943
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
1-(3-phenoxypropyl)piperidine-2-carbaldehyde
CID 62655361
methane;(NZ)-N-[1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propylidene]hydroxylamine
CID 172987127
3-(2-methylpiperidin-1-yl)propyl 3-phenylpropanoate;hydrochloride
CID 3051498
2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 23009931

Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-1-(5-phenoxypentyl)piperidine?
The IUPAC name of methane;2-methyl-1-(5-phenoxypentyl)piperidine (CID 158922703) is methane;2-methyl-1-(5-phenoxypentyl)piperidine.
What is the SMILES notation for methane;2-methyl-1-(5-phenoxypentyl)piperidine?
The canonical SMILES for methane;2-methyl-1-(5-phenoxypentyl)piperidine is C.CC1CCCCN1CCCCCOc1ccccc1.
What is the InChIKey of methane;2-methyl-1-(5-phenoxypentyl)piperidine?
The InChIKey is JIAQHMIPGRJIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO.CH4/c1-16-10-6-8-14-18(16)13-7-3-9-15-19-17-11-4-2-5-12-17;/h2,4-5,11-12,16H,3,6-10,13-15H2,1H3;1H4.
What are the key properties of methane;2-methyl-1-(5-phenoxypentyl)piperidine?
methane;2-methyl-1-(5-phenoxypentyl)piperidine has a molecular weight of 277.45 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-1-(5-phenoxypentyl)piperidine is sourced from PubChem (CID 158922703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).