1-tert-butyl-3-(2-methylphenoxy)piperidine

C16H25NO — CID 18712970

IUPAC1-tert-butyl-3-(2-methylphenoxy)piperidine
SMILESCc1ccccc1OC1CCCN(C(C)(C)C)C1
InChIInChI=1S/C16H25NO/c1-13-8-5-6-10-15(13)18-14-9-7-11-17(12-14)16(2,3)4/h5-6,8,10,14H,7,9,11-12H2,1-4H3
InChIKeyBWFPEKZZIZJJDE-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.64
Rot. Bonds2

About 1-tert-butyl-3-(2-methylphenoxy)piperidine

1-tert-butyl-3-(2-methylphenoxy)piperidine (PubChem CID 18712970) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-methylphenoxy)piperidine.

Molecular Properties

Compound Name1-tert-butyl-3-(2-methylphenoxy)piperidine
PubChem CID18712970
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-tert-butyl-3-(2-methylphenoxy)piperidine
SMILESCc1ccccc1OC1CCCN(C(C)(C)C)C1
InChIInChI=1S/C16H25NO/c1-13-8-5-6-10-15(13)18-14-9-7-11-17(12-14)16(2,3)4/h5-6,8,10,14H,7,9,11-12H2,1-4H3
InChIKeyBWFPEKZZIZJJDE-UHFFFAOYSA-N
XLogP3.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

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Related Compounds

3-(1-tert-butylpiperidin-3-yl)oxy-2-methylpyridine
CID 18712952
4-(1-tert-butylpiperidin-3-yl)oxypyridine
CID 138636947
2-[6-amino-5-(1-tert-butylpiperidin-3-yl)oxypyridazin-3-yl]phenol
CID 137045913
1-tert-butyl-3-(2-methylpyrazol-3-yl)oxypiperidine
CID 138636935
3-(2-methylphenoxy)-1-azabicyclo[3.2.1]octane
CID 20679128
2-methyl-1-[2-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-amine
CID 117411189
4-(1-tert-butylpiperidin-3-yl)oxy-2-chloropyridine
CID 87418046
1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene
CID 64765260
2-(2-methylphenoxy)oxetane
CID 23394730
N-[(2-cyclopentyloxyphenyl)methyl]-2-methylaniline
CID 39381668
tert-butyl (3S)-3-(2-bromophenoxy)piperidine-1-carboxylate
CID 69433067
1-cyclopentyloxy-2-fluoro-3-methylbenzene
CID 103942608

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2-methylphenoxy)piperidine?
The IUPAC name of 1-tert-butyl-3-(2-methylphenoxy)piperidine (CID 18712970) is 1-tert-butyl-3-(2-methylphenoxy)piperidine.
What is the SMILES notation for 1-tert-butyl-3-(2-methylphenoxy)piperidine?
The canonical SMILES for 1-tert-butyl-3-(2-methylphenoxy)piperidine is Cc1ccccc1OC1CCCN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-(2-methylphenoxy)piperidine?
The InChIKey is BWFPEKZZIZJJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-8-5-6-10-15(13)18-14-9-7-11-17(12-14)16(2,3)4/h5-6,8,10,14H,7,9,11-12H2,1-4H3.
What are the key properties of 1-tert-butyl-3-(2-methylphenoxy)piperidine?
1-tert-butyl-3-(2-methylphenoxy)piperidine has a molecular weight of 247.38 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2-methylphenoxy)piperidine is sourced from PubChem (CID 18712970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).