4-[4-[(4-butylphenyl)methoxy]phenyl]-1,2,2,6,6-pentamethylpiperidine

C27H39NO — CID 134486589

IUPAC4-[4-[(4-butylphenyl)methoxy]phenyl]-1,2,2,6,6-pentamethylpiperidine
SMILESCCCCc1ccc(COc2ccc(C3CC(C)(C)N(C)C(C)(C)C3)cc2)cc1
InChIInChI=1S/C27H39NO/c1-7-8-9-21-10-12-22(13-11-21)20-29-25-16-14-23(15-17-25)24-18-26(2,3)28(6)27(4,5)19-24/h10-17,24H,7-9,18-20H2,1-6H3
InChIKeyUZONOSKHNSGHDN-UHFFFAOYSA-N
MW393.62 g/mol
LogP6.97
Rot. Bonds7

About 4-[4-[(4-butylphenyl)methoxy]phenyl]-1,2,2,6,6-pentamethylpiperidine

4-[4-[(4-butylphenyl)methoxy]phenyl]-1,2,2,6,6-pentamethylpiperidine (PubChem CID 134486589) has the molecular formula C27H39NO and a molecular weight of 393.62 g/mol. Its IUPAC name is 4-[4-[(4-butylphenyl)methoxy]phenyl]-1,2,2,6,6-pentamethylpiperidine.

Molecular Properties

Compound Name4-[4-[(4-butylphenyl)methoxy]phenyl]-1,2,2,6,6-pentamethylpiperidine
PubChem CID134486589
Molecular FormulaC27H39NO
Molecular Weight393.62 g/mol
Exact Mass393.30
IUPAC Name4-[4-[(4-butylphenyl)methoxy]phenyl]-1,2,2,6,6-pentamethylpiperidine
SMILESCCCCc1ccc(COc2ccc(C3CC(C)(C)N(C)C(C)(C)C3)cc2)cc1
InChIInChI=1S/C27H39NO/c1-7-8-9-21-10-12-22(13-11-21)20-29-25-16-14-23(15-17-25)24-18-26(2,3)28(6)27(4,5)19-24/h10-17,24H,7-9,18-20H2,1-6H3
InChIKeyUZONOSKHNSGHDN-UHFFFAOYSA-N
XLogP6.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.62
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-butylphenoxy)methyl]aniline
CID 115492301
4-[4-[4-(4-butoxycyclohexyl)phenyl]phenyl]-1,2,2,6,6-pentamethylpiperidine
CID 134486503
1-ethyl-4-[(4-pentylphenyl)methoxy]benzene
CID 142992218
2,2,6,6-tetramethyl-4-(4-phenylmethoxyphenyl)piperidine
CID 21421702
1-butoxy-4-[[4-(4-pentylcyclohexyl)phenyl]methoxy]benzene
CID 54111085
N-[[4-[(4-butylphenyl)methoxy]phenyl]methyl]piperidin-4-amine
CID 135174811
pentakis(4-[[4-(4-butylcyclohexyl)phenyl]methoxy]benzenethiol);pentahydrofluoride
CID 173376017
1-butyl-4-(cyclopropylmethoxy)benzene
CID 70329581
1-butyl-4-(4-propylcyclohexyl)benzene;1-ethoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 159548432
1-butyl-4-[2-[4-(4-ethoxyphenyl)cyclohexyl]ethynyl]benzene
CID 19985066
5-[(4-butylphenoxy)methyl]-2-chloropyridine
CID 113322669
1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-butylbenzene
CID 115492529

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-butylphenyl)methoxy]phenyl]-1,2,2,6,6-pentamethylpiperidine?
The IUPAC name of 4-[4-[(4-butylphenyl)methoxy]phenyl]-1,2,2,6,6-pentamethylpiperidine (CID 134486589) is 4-[4-[(4-butylphenyl)methoxy]phenyl]-1,2,2,6,6-pentamethylpiperidine.
What is the SMILES notation for 4-[4-[(4-butylphenyl)methoxy]phenyl]-1,2,2,6,6-pentamethylpiperidine?
The canonical SMILES for 4-[4-[(4-butylphenyl)methoxy]phenyl]-1,2,2,6,6-pentamethylpiperidine is CCCCc1ccc(COc2ccc(C3CC(C)(C)N(C)C(C)(C)C3)cc2)cc1.
What is the InChIKey of 4-[4-[(4-butylphenyl)methoxy]phenyl]-1,2,2,6,6-pentamethylpiperidine?
The InChIKey is UZONOSKHNSGHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39NO/c1-7-8-9-21-10-12-22(13-11-21)20-29-25-16-14-23(15-17-25)24-18-26(2,3)28(6)27(4,5)19-24/h10-17,24H,7-9,18-20H2,1-6H3.
What are the key properties of 4-[4-[(4-butylphenyl)methoxy]phenyl]-1,2,2,6,6-pentamethylpiperidine?
4-[4-[(4-butylphenyl)methoxy]phenyl]-1,2,2,6,6-pentamethylpiperidine has a molecular weight of 393.62 g/mol, XLogP of 6.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-butylphenyl)methoxy]phenyl]-1,2,2,6,6-pentamethylpiperidine is sourced from PubChem (CID 134486589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).