2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine

C16H25NO — CID 11948033

IUPAC2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
SMILESCc1ccc(OCCCN2CCCCC2C)cc1
InChIInChI=1S/C16H25NO/c1-14-7-9-16(10-8-14)18-13-5-12-17-11-4-3-6-15(17)2/h7-10,15H,3-6,11-13H2,1-2H3
InChIKeyXEDKVMCZBHXKIO-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.64
Rot. Bonds5

About 2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine

2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine (PubChem CID 11948033) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine.

Molecular Properties

Compound Name2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
PubChem CID11948033
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
SMILESCc1ccc(OCCCN2CCCCC2C)cc1
InChIInChI=1S/C16H25NO/c1-14-7-9-16(10-8-14)18-13-5-12-17-11-4-3-6-15(17)2/h7-10,15H,3-6,11-13H2,1-2H3
InChIKeyXEDKVMCZBHXKIO-UHFFFAOYSA-N
XLogP3.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.64
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

[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 43253349
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
7-methyl-1-[3-(4-methylphenoxy)propyl]-1,4-diazepane
CID 82246475
(2R)-1-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperidine
CID 166625466
3-chloro-6-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]pyridazine
CID 143841531
methane;2-methyl-1-(5-phenoxypentyl)piperidine
CID 158922703
(2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine
CID 141409684
2-methyl-1-[3-(4-pent-4-enylphenoxy)propyl]piperidine
CID 11857790
methane;(NZ)-N-[1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propylidene]hydroxylamine
CID 172987127
N-[2-(4-bromophenoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 60696322
4-[2-(2-methylpiperidin-1-yl)ethoxy]benzaldehyde
CID 6504237
4-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenoxy]piperidine
CID 123180187

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine?
The IUPAC name of 2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine (CID 11948033) is 2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine.
What is the SMILES notation for 2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine?
The canonical SMILES for 2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine is Cc1ccc(OCCCN2CCCCC2C)cc1.
What is the InChIKey of 2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine?
The InChIKey is XEDKVMCZBHXKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-14-7-9-16(10-8-14)18-13-5-12-17-11-4-3-6-15(17)2/h7-10,15H,3-6,11-13H2,1-2H3.
What are the key properties of 2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine?
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine has a molecular weight of 247.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine is sourced from PubChem (CID 11948033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).