2-methyl-1-[6-(2-methylphenoxy)hexyl]piperidine

C19H31NO — CID 16616246

IUPAC2-methyl-1-[6-(2-methylphenoxy)hexyl]piperidine
SMILESCc1ccccc1OCCCCCCN1CCCCC1C
InChIInChI=1S/C19H31NO/c1-17-11-5-6-13-19(17)21-16-10-4-3-8-14-20-15-9-7-12-18(20)2/h5-6,11,13,18H,3-4,7-10,12,14-16H2,1-2H3
InChIKeyJFSFPVUJKFXOMT-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.81
Rot. Bonds8

About 2-methyl-1-[6-(2-methylphenoxy)hexyl]piperidine

2-methyl-1-[6-(2-methylphenoxy)hexyl]piperidine (PubChem CID 16616246) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-methyl-1-[6-(2-methylphenoxy)hexyl]piperidine.

Molecular Properties

Compound Name2-methyl-1-[6-(2-methylphenoxy)hexyl]piperidine
PubChem CID16616246
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-methyl-1-[6-(2-methylphenoxy)hexyl]piperidine
SMILESCc1ccccc1OCCCCCCN1CCCCC1C
InChIInChI=1S/C19H31NO/c1-17-11-5-6-13-19(17)21-16-10-4-3-8-14-20-15-9-7-12-18(20)2/h5-6,11,13,18H,3-4,7-10,12,14-16H2,1-2H3
InChIKeyJFSFPVUJKFXOMT-UHFFFAOYSA-N
XLogP4.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.81
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

1-[2-(2-methylphenoxy)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 60547514
methane;2-methyl-1-(5-phenoxypentyl)piperidine
CID 158922703
2-methyl-1-[4-(2-methylphenoxy)butyl]-1,4-diazepane
CID 82248528
2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 23009931
[2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanamine
CID 54882055
1-[2-(2-methylphenoxy)ethyl]piperidine-2-carbaldehyde
CID 62654078
2,5-dimethyl-1-[4-(2-methylphenoxy)butyl]piperazine
CID 82248508
2-[3-(2-methylpyrrolidin-1-yl)propoxy]benzonitrile
CID 54882660
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
8-methyl-7-[5-(2-methylpiperidin-1-yl)pentoxy]-2-phenylchromen-4-one
CID 71602954
2-[1-[2-(2-methylphenoxy)ethyl]piperidin-2-yl]ethanol
CID 60690162
N-[4-(2-methylphenoxy)butyl]cyclopentanamine
CID 82097612

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[6-(2-methylphenoxy)hexyl]piperidine?
The IUPAC name of 2-methyl-1-[6-(2-methylphenoxy)hexyl]piperidine (CID 16616246) is 2-methyl-1-[6-(2-methylphenoxy)hexyl]piperidine.
What is the SMILES notation for 2-methyl-1-[6-(2-methylphenoxy)hexyl]piperidine?
The canonical SMILES for 2-methyl-1-[6-(2-methylphenoxy)hexyl]piperidine is Cc1ccccc1OCCCCCCN1CCCCC1C.
What is the InChIKey of 2-methyl-1-[6-(2-methylphenoxy)hexyl]piperidine?
The InChIKey is JFSFPVUJKFXOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-17-11-5-6-13-19(17)21-16-10-4-3-8-14-20-15-9-7-12-18(20)2/h5-6,11,13,18H,3-4,7-10,12,14-16H2,1-2H3.
What are the key properties of 2-methyl-1-[6-(2-methylphenoxy)hexyl]piperidine?
2-methyl-1-[6-(2-methylphenoxy)hexyl]piperidine has a molecular weight of 289.46 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[6-(2-methylphenoxy)hexyl]piperidine is sourced from PubChem (CID 16616246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).