1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine

C18H29NO — CID 40804379

IUPAC1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine
SMILESCc1ccc(C)c(OCCCCN2CCC(C)CC2)c1
InChIInChI=1S/C18H29NO/c1-15-8-11-19(12-9-15)10-4-5-13-20-18-14-16(2)6-7-17(18)3/h6-7,14-15H,4-5,8-13H2,1-3H3
InChIKeyBUYYGJOSNBWJRM-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.19
Rot. Bonds6

About 1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine

1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine (PubChem CID 40804379) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine
PubChem CID40804379
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine
SMILESCc1ccc(C)c(OCCCCN2CCC(C)CC2)c1
InChIInChI=1S/C18H29NO/c1-15-8-11-19(12-9-15)10-4-5-13-20-18-14-16(2)6-7-17(18)3/h6-7,14-15H,4-5,8-13H2,1-3H3
InChIKeyBUYYGJOSNBWJRM-UHFFFAOYSA-N
XLogP4.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.19
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-[4-(2,5-dimethylphenoxy)butyl]aziridine
CID 125464507
4-[4-(2,5-dimethylphenoxy)butyl]morpholine
CID 2245898
1-[4-(4-bromo-2-methylphenoxy)butyl]-4-methylpiperidine
CID 2299722
(3S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-3-amine
CID 81491707
1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol
CID 114681408
1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine
CID 65250062
1-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 44828222
1-[4-(2-bromophenoxy)butyl]-4-methylpiperidine
CID 2888107
4-methyl-1-[2-(5-methyl-2-nitrophenoxy)ethyl]piperidine;hydrochloride
CID 2995300
1-[6-(3-methoxyphenoxy)hexyl]-4-methylpiperidine
CID 11836207
2-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]acetic acid
CID 43521786
3-[2-(2,5-dimethylphenoxy)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81490545

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine?
The IUPAC name of 1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine (CID 40804379) is 1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine.
What is the SMILES notation for 1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine?
The canonical SMILES for 1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine is Cc1ccc(C)c(OCCCCN2CCC(C)CC2)c1.
What is the InChIKey of 1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine?
The InChIKey is BUYYGJOSNBWJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-15-8-11-19(12-9-15)10-4-5-13-20-18-14-16(2)6-7-17(18)3/h6-7,14-15H,4-5,8-13H2,1-3H3.
What are the key properties of 1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine?
1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine has a molecular weight of 275.44 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine is sourced from PubChem (CID 40804379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).