1-tert-butyl-4-(4-methoxyphenyl)piperidine

C16H25NO — CID 58245809

IUPAC1-tert-butyl-4-(4-methoxyphenyl)piperidine
SMILESCOc1ccc(C2CCN(C(C)(C)C)CC2)cc1
InChIInChI=1S/C16H25NO/c1-16(2,3)17-11-9-14(10-12-17)13-5-7-15(18-4)8-6-13/h5-8,14H,9-12H2,1-4H3
InChIKeyQCIUGDJHWGGWPN-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.67
Rot. Bonds2

About 1-tert-butyl-4-(4-methoxyphenyl)piperidine

1-tert-butyl-4-(4-methoxyphenyl)piperidine (PubChem CID 58245809) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-tert-butyl-4-(4-methoxyphenyl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-(4-methoxyphenyl)piperidine
PubChem CID58245809
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-tert-butyl-4-(4-methoxyphenyl)piperidine
SMILESCOc1ccc(C2CCN(C(C)(C)C)CC2)cc1
InChIInChI=1S/C16H25NO/c1-16(2,3)17-11-9-14(10-12-17)13-5-7-15(18-4)8-6-13/h5-8,14H,9-12H2,1-4H3
InChIKeyQCIUGDJHWGGWPN-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(4-methoxyphenyl)piperidine?
The IUPAC name of 1-tert-butyl-4-(4-methoxyphenyl)piperidine (CID 58245809) is 1-tert-butyl-4-(4-methoxyphenyl)piperidine.
What is the SMILES notation for 1-tert-butyl-4-(4-methoxyphenyl)piperidine?
The canonical SMILES for 1-tert-butyl-4-(4-methoxyphenyl)piperidine is COc1ccc(C2CCN(C(C)(C)C)CC2)cc1.
What is the InChIKey of 1-tert-butyl-4-(4-methoxyphenyl)piperidine?
The InChIKey is QCIUGDJHWGGWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,3)17-11-9-14(10-12-17)13-5-7-15(18-4)8-6-13/h5-8,14H,9-12H2,1-4H3.
What are the key properties of 1-tert-butyl-4-(4-methoxyphenyl)piperidine?
1-tert-butyl-4-(4-methoxyphenyl)piperidine has a molecular weight of 247.38 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(4-methoxyphenyl)piperidine is sourced from PubChem (CID 58245809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).