2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-5-methoxyphenol

C18H29NO2 — CID 82958093

IUPAC2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)N2CCC(C(C)(C)C)CC2)c(O)c1
InChIInChI=1S/C18H29NO2/c1-13(16-7-6-15(21-5)12-17(16)20)19-10-8-14(9-11-19)18(2,3)4/h6-7,12-14,20H,8-11H2,1-5H3
InChIKeyFRSSXCVDGIGASS-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.22
Rot. Bonds3

About 2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-5-methoxyphenol

2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-5-methoxyphenol (PubChem CID 82958093) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-5-methoxyphenol
PubChem CID82958093
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)N2CCC(C(C)(C)C)CC2)c(O)c1
InChIInChI=1S/C18H29NO2/c1-13(16-7-6-15(21-5)12-17(16)20)19-10-8-14(9-11-19)18(2,3)4/h6-7,12-14,20H,8-11H2,1-5H3
InChIKeyFRSSXCVDGIGASS-UHFFFAOYSA-N
XLogP4.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974711
2-[1-(4-tert-butylazepan-1-yl)ethyl]-5-methylphenol
CID 82965233
5-methoxy-2-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
CID 82980447
5-methoxy-2-[1-(3-methoxypiperidin-1-yl)ethyl]phenol
CID 102969245
5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol
CID 114541116
2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-4-chlorophenol
CID 82980108
2-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
CID 82982908
2-[1-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-4-methoxyphenol
CID 63596519
2-[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-5-methoxyphenol
CID 82980642
5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
CID 43206678
2-[1-(2-cyclopentylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
CID 82956837
2-[1-(4-tert-butylazepan-1-yl)ethyl]-4-fluorophenol
CID 82965409

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-5-methoxyphenol?
The IUPAC name of 2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-5-methoxyphenol (CID 82958093) is 2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-5-methoxyphenol?
The canonical SMILES for 2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-5-methoxyphenol is COc1ccc(C(C)N2CCC(C(C)(C)C)CC2)c(O)c1.
What is the InChIKey of 2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-5-methoxyphenol?
The InChIKey is FRSSXCVDGIGASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13(16-7-6-15(21-5)12-17(16)20)19-10-8-14(9-11-19)18(2,3)4/h6-7,12-14,20H,8-11H2,1-5H3.
What are the key properties of 2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-5-methoxyphenol?
2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-5-methoxyphenol has a molecular weight of 291.44 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-5-methoxyphenol is sourced from PubChem (CID 82958093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).