1-[4-(2-butan-2-ylphenoxy)butyl]-4-methylpiperidine

C20H33NO — CID 2924362

IUPAC1-[4-(2-butan-2-ylphenoxy)butyl]-4-methylpiperidine
SMILESCCC(C)c1ccccc1OCCCCN1CCC(C)CC1
InChIInChI=1S/C20H33NO/c1-4-18(3)19-9-5-6-10-20(19)22-16-8-7-13-21-14-11-17(2)12-15-21/h5-6,9-10,17-18H,4,7-8,11-16H2,1-3H3
InChIKeyDLHQLRBCATXJFK-UHFFFAOYSA-N
MW303.49 g/mol
LogP5.09
Rot. Bonds8

About 1-[4-(2-butan-2-ylphenoxy)butyl]-4-methylpiperidine

1-[4-(2-butan-2-ylphenoxy)butyl]-4-methylpiperidine (PubChem CID 2924362) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 1-[4-(2-butan-2-ylphenoxy)butyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[4-(2-butan-2-ylphenoxy)butyl]-4-methylpiperidine
PubChem CID2924362
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name1-[4-(2-butan-2-ylphenoxy)butyl]-4-methylpiperidine
SMILESCCC(C)c1ccccc1OCCCCN1CCC(C)CC1
InChIInChI=1S/C20H33NO/c1-4-18(3)19-9-5-6-10-20(19)22-16-8-7-13-21-14-11-17(2)12-15-21/h5-6,9-10,17-18H,4,7-8,11-16H2,1-3H3
InChIKeyDLHQLRBCATXJFK-UHFFFAOYSA-N
XLogP5.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 55.09
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-butan-2-ylphenoxy)ethyl]-4-methylpiperidine;oxalic acid
CID 2922789
1-[2-[2-(2-butan-2-ylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 2923591
(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]-3-methylpiperidine
CID 6544925
4-methyl-1-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 40573611
1-[4-(2-bromophenoxy)butyl]-4-methylpiperidine
CID 2888107
(2S,6S)-4-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]-2,6-dimethylmorpholine
CID 6359907
4-[3-(2-butan-2-ylphenoxy)propyl]-2,6-dimethylmorpholine
CID 2935581
1-[2-(2-butan-2-ylphenoxy)ethyl]piperazine
CID 2943811
4-[2-[2-(2-butan-2-ylphenoxy)ethoxy]ethyl]morpholine
CID 2923927
4-methyl-1-[4-(2-prop-2-enylphenoxy)butyl]piperidine
CID 2298260
1-[4-(2-propan-2-ylphenoxy)butyl]piperidine;hydrochloride
CID 2865485
3-[2-[(2S)-butan-2-yl]phenoxy]propyl-cyclopentylazanium
CID 2199598

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-butan-2-ylphenoxy)butyl]-4-methylpiperidine?
The IUPAC name of 1-[4-(2-butan-2-ylphenoxy)butyl]-4-methylpiperidine (CID 2924362) is 1-[4-(2-butan-2-ylphenoxy)butyl]-4-methylpiperidine.
What is the SMILES notation for 1-[4-(2-butan-2-ylphenoxy)butyl]-4-methylpiperidine?
The canonical SMILES for 1-[4-(2-butan-2-ylphenoxy)butyl]-4-methylpiperidine is CCC(C)c1ccccc1OCCCCN1CCC(C)CC1.
What is the InChIKey of 1-[4-(2-butan-2-ylphenoxy)butyl]-4-methylpiperidine?
The InChIKey is DLHQLRBCATXJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-4-18(3)19-9-5-6-10-20(19)22-16-8-7-13-21-14-11-17(2)12-15-21/h5-6,9-10,17-18H,4,7-8,11-16H2,1-3H3.
What are the key properties of 1-[4-(2-butan-2-ylphenoxy)butyl]-4-methylpiperidine?
1-[4-(2-butan-2-ylphenoxy)butyl]-4-methylpiperidine has a molecular weight of 303.49 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-butan-2-ylphenoxy)butyl]-4-methylpiperidine is sourced from PubChem (CID 2924362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).