4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-phenylmethoxypyridine

C82H104FN5O5 — CID 159240605

IUPAC4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-phenylmethoxypyridine
SMILESCC(C)(C)c1ccnc(OCC2CCCC2)c1.CC(C)(C)c1ccnc(OCc2ccccc2)c1.Cc1cc(COc2cc(C(C)(C)C)ccn2)ccc1F.Cc1ccc(COc2cc(C(C)(C)C)ccn2)cc1.Cc1ccc(COc2cc(C(C)(C)C)ccn2)cc1
InChIInChI=1S/C17H20FNO.2C17H21NO.C16H19NO.C15H23NO/c1-12-9-13(5-6-15(12)18)11-20-16-10-14(7-8-19-16)17(2,3)4;2*1-13-5-7-14(8-6-13)12-19-16-11-15(9-10-18-16)17(2,3)4;1-16(2,3)14-9-10-17-15(11-14)18-12-13-7-5-4-6-8-13;1-15(2,3)13-8-9-16-14(10-13)17-11-12-6-4-5-7-12/h5-10H,11H2,1-4H3;2*5-11H,12H2,1-4H3;4-11H,12H2,1-3H3;8-10,12H,4-7,11H2,1-3H3
InChIKeyKUAUNHRWFWGOBB-UHFFFAOYSA-N
MW1258.76 g/mol
LogP20.84
Rot. Bonds15

About 4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-phenylmethoxypyridine

4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-phenylmethoxypyridine (PubChem CID 159240605) has the molecular formula C82H104FN5O5 and a molecular weight of 1258.76 g/mol. Its IUPAC name is 4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-phenylmethoxypyridine.

Molecular Properties

Compound Name4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-phenylmethoxypyridine
PubChem CID159240605
Molecular FormulaC82H104FN5O5
Molecular Weight1258.76 g/mol
Exact Mass1257.80
IUPAC Name4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-phenylmethoxypyridine
SMILESCC(C)(C)c1ccnc(OCC2CCCC2)c1.CC(C)(C)c1ccnc(OCc2ccccc2)c1.Cc1cc(COc2cc(C(C)(C)C)ccn2)ccc1F.Cc1ccc(COc2cc(C(C)(C)C)ccn2)cc1.Cc1ccc(COc2cc(C(C)(C)C)ccn2)cc1
InChIInChI=1S/C17H20FNO.2C17H21NO.C16H19NO.C15H23NO/c1-12-9-13(5-6-15(12)18)11-20-16-10-14(7-8-19-16)17(2,3)4;2*1-13-5-7-14(8-6-13)12-19-16-11-15(9-10-18-16)17(2,3)4;1-16(2,3)14-9-10-17-15(11-14)18-12-13-7-5-4-6-8-13;1-15(2,3)13-8-9-16-14(10-13)17-11-12-6-4-5-7-12/h5-10H,11H2,1-4H3;2*5-11H,12H2,1-4H3;4-11H,12H2,1-3H3;8-10,12H,4-7,11H2,1-3H3
InChIKeyKUAUNHRWFWGOBB-UHFFFAOYSA-N
XLogP20.84
TPSA110.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001258.76
LogP ≤ 520.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-phenylmethoxypyridine with MolForge

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Related Compounds

2-[(4-methylphenyl)methoxy]-4-phenylmethoxypyridine
CID 67304946
4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene
CID 135194896
4-chloro-2-(cyclobutylmethoxy)pyridine
CID 71303294
[2-(cycloheptylmethoxy)-4-pyridinyl]methanamine
CID 114247934
2-phenylmethoxy-4-[4-(trifluoromethyl)phenyl]pyridine
CID 58901931
N-(cyclohexylmethyl)-2,3-difluoro-5-methyl-4-[(4-methylphenyl)methoxy]aniline
CID 174301538
5-bromo-2-(cyclopentylmethoxy)-4-methylpyridine
CID 114870777
(1R)-1-[2-(cycloheptylmethoxy)-4-pyridinyl]ethanamine
CID 114248487
N-[[2-(cyclohexylmethoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62387269
2-(cyclohexylmethoxy)pyridine;hydron;hexafluorophosphate
CID 159083135
4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine
CID 159957482
2-fluoro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzenesulfonamide
CID 60539439

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-phenylmethoxypyridine?
The IUPAC name of 4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-phenylmethoxypyridine (CID 159240605) is 4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-phenylmethoxypyridine.
What is the SMILES notation for 4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-phenylmethoxypyridine?
The canonical SMILES for 4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-phenylmethoxypyridine is CC(C)(C)c1ccnc(OCC2CCCC2)c1.CC(C)(C)c1ccnc(OCc2ccccc2)c1.Cc1cc(COc2cc(C(C)(C)C)ccn2)ccc1F.Cc1ccc(COc2cc(C(C)(C)C)ccn2)cc1.Cc1ccc(COc2cc(C(C)(C)C)ccn2)cc1.
What is the InChIKey of 4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-phenylmethoxypyridine?
The InChIKey is KUAUNHRWFWGOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO.2C17H21NO.C16H19NO.C15H23NO/c1-12-9-13(5-6-15(12)18)11-20-16-10-14(7-8-19-16)17(2,3)4;2*1-13-5-7-14(8-6-13)12-19-16-11-15(9-10-18-16)17(2,3)4;1-16(2,3)14-9-10-17-15(11-14)18-12-13-7-5-4-6-8-13;1-15(2,3)13-8-9-16-14(10-13)17-11-12-6-4-5-7-12/h5-10H,11H2,1-4H3;2*5-11H,12H2,1-4H3;4-11H,12H2,1-3H3;8-10,12H,4-7,11H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-phenylmethoxypyridine?
4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-phenylmethoxypyridine has a molecular weight of 1258.76 g/mol, XLogP of 20.84, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(cyclopentylmethoxy)pyridine;4-tert-butyl-2-[(4-fluoro-3-methylphenyl)methoxy]pyridine;bis(4-tert-butyl-2-[(4-methylphenyl)methoxy]pyridine);4-tert-butyl-2-phenylmethoxypyridine is sourced from PubChem (CID 159240605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).