4-tert-butyl-1-(4-propan-2-yloxyphenyl)piperidine

C18H29NO — CID 118634170

IUPAC4-tert-butyl-1-(4-propan-2-yloxyphenyl)piperidine
SMILESCC(C)Oc1ccc(N2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C18H29NO/c1-14(2)20-17-8-6-16(7-9-17)19-12-10-15(11-13-19)18(3,4)5/h6-9,14-15H,10-13H2,1-5H3
InChIKeyYUIGCAJMLMPOFX-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.74
Rot. Bonds3

About 4-tert-butyl-1-(4-propan-2-yloxyphenyl)piperidine

4-tert-butyl-1-(4-propan-2-yloxyphenyl)piperidine (PubChem CID 118634170) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-tert-butyl-1-(4-propan-2-yloxyphenyl)piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-(4-propan-2-yloxyphenyl)piperidine
PubChem CID118634170
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name4-tert-butyl-1-(4-propan-2-yloxyphenyl)piperidine
SMILESCC(C)Oc1ccc(N2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C18H29NO/c1-14(2)20-17-8-6-16(7-9-17)19-12-10-15(11-13-19)18(3,4)5/h6-9,14-15H,10-13H2,1-5H3
InChIKeyYUIGCAJMLMPOFX-UHFFFAOYSA-N
XLogP4.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine
CID 63368975
(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol
CID 63371777
(1R)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol
CID 78940931
4-(4-tert-butylpiperidin-1-yl)phenol
CID 164764149
N-ethyl-1-(4-propan-2-yloxyphenyl)piperidin-4-amine
CID 43315540
4-tert-butyl-1-phenylpiperidine
CID 612454
1-[4-(4-tert-butylpiperidin-1-yl)phenyl]propan-2-amine
CID 63794137
1-[4-(1-cyclohexylethoxy)phenyl]piperidine
CID 154185560
1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 63532857
1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-methylmethanamine
CID 62091433
1-[4-(4-tert-butylcyclohexyl)oxyphenyl]piperidine
CID 13022864
N-methyl-2-[1-(4-propan-2-yloxyphenyl)pyrrolidin-3-yl]ethanamine
CID 112514852

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(4-propan-2-yloxyphenyl)piperidine?
The IUPAC name of 4-tert-butyl-1-(4-propan-2-yloxyphenyl)piperidine (CID 118634170) is 4-tert-butyl-1-(4-propan-2-yloxyphenyl)piperidine.
What is the SMILES notation for 4-tert-butyl-1-(4-propan-2-yloxyphenyl)piperidine?
The canonical SMILES for 4-tert-butyl-1-(4-propan-2-yloxyphenyl)piperidine is CC(C)Oc1ccc(N2CCC(C(C)(C)C)CC2)cc1.
What is the InChIKey of 4-tert-butyl-1-(4-propan-2-yloxyphenyl)piperidine?
The InChIKey is YUIGCAJMLMPOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(2)20-17-8-6-16(7-9-17)19-12-10-15(11-13-19)18(3,4)5/h6-9,14-15H,10-13H2,1-5H3.
What are the key properties of 4-tert-butyl-1-(4-propan-2-yloxyphenyl)piperidine?
4-tert-butyl-1-(4-propan-2-yloxyphenyl)piperidine has a molecular weight of 275.44 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(4-propan-2-yloxyphenyl)piperidine is sourced from PubChem (CID 118634170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).