4-[4-[4-(5-methoxyoxan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine

C30H43NO2 — CID 134486435

IUPAC4-[4-[4-(5-methoxyoxan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine
SMILESCCCN1C(C)(C)CC(c2ccc(-c3ccc(C4CCC(OC)CO4)cc3)cc2)CC1(C)C
InChIInChI=1S/C30H43NO2/c1-7-18-31-29(2,3)19-26(20-30(31,4)5)24-10-8-22(9-11-24)23-12-14-25(15-13-23)28-17-16-27(32-6)21-33-28/h8-15,26-28H,7,16-21H2,1-6H3
InChIKeyJDVFRGPHDPQEOC-UHFFFAOYSA-N
MW449.68 g/mol
LogP7.37
Rot. Bonds6

About 4-[4-[4-(5-methoxyoxan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine

4-[4-[4-(5-methoxyoxan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine (PubChem CID 134486435) has the molecular formula C30H43NO2 and a molecular weight of 449.68 g/mol. Its IUPAC name is 4-[4-[4-(5-methoxyoxan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine.

Molecular Properties

Compound Name4-[4-[4-(5-methoxyoxan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine
PubChem CID134486435
Molecular FormulaC30H43NO2
Molecular Weight449.68 g/mol
Exact Mass449.33
IUPAC Name4-[4-[4-(5-methoxyoxan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine
SMILESCCCN1C(C)(C)CC(c2ccc(-c3ccc(C4CCC(OC)CO4)cc3)cc2)CC1(C)C
InChIInChI=1S/C30H43NO2/c1-7-18-31-29(2,3)19-26(20-30(31,4)5)24-10-8-22(9-11-24)23-12-14-25(15-13-23)28-17-16-27(32-6)21-33-28/h8-15,26-28H,7,16-21H2,1-6H3
InChIKeyJDVFRGPHDPQEOC-UHFFFAOYSA-N
XLogP7.37
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.68
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(5-methoxyoxan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine?
The IUPAC name of 4-[4-[4-(5-methoxyoxan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine (CID 134486435) is 4-[4-[4-(5-methoxyoxan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine.
What is the SMILES notation for 4-[4-[4-(5-methoxyoxan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine?
The canonical SMILES for 4-[4-[4-(5-methoxyoxan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine is CCCN1C(C)(C)CC(c2ccc(-c3ccc(C4CCC(OC)CO4)cc3)cc2)CC1(C)C.
What is the InChIKey of 4-[4-[4-(5-methoxyoxan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine?
The InChIKey is JDVFRGPHDPQEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43NO2/c1-7-18-31-29(2,3)19-26(20-30(31,4)5)24-10-8-22(9-11-24)23-12-14-25(15-13-23)28-17-16-27(32-6)21-33-28/h8-15,26-28H,7,16-21H2,1-6H3.
What are the key properties of 4-[4-[4-(5-methoxyoxan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine?
4-[4-[4-(5-methoxyoxan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine has a molecular weight of 449.68 g/mol, XLogP of 7.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(5-methoxyoxan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine is sourced from PubChem (CID 134486435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).