1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]piperidin-4-ol

C21H27NO3 — CID 6918409

IUPAC1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]piperidin-4-ol
SMILESCc1ccc(CC2(O)CCN(CCOc3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C21H27NO3/c1-17-2-4-18(5-3-17)16-21(24)10-12-22(13-11-21)14-15-25-20-8-6-19(23)7-9-20/h2-9,23-24H,10-16H2,1H3
InChIKeyVKMFDKYCIKEDMR-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.15
Rot. Bonds6

About 1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]piperidin-4-ol

1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]piperidin-4-ol (PubChem CID 6918409) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]piperidin-4-ol
PubChem CID6918409
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]piperidin-4-ol
SMILESCc1ccc(CC2(O)CCN(CCOc3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C21H27NO3/c1-17-2-4-18(5-3-17)16-21(24)10-12-22(13-11-21)14-15-25-20-8-6-19(23)7-9-20/h2-9,23-24H,10-16H2,1H3
InChIKeyVKMFDKYCIKEDMR-UHFFFAOYSA-N
XLogP3.15
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]piperidin-4-ol?
The IUPAC name of 1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]piperidin-4-ol (CID 6918409) is 1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]piperidin-4-ol is Cc1ccc(CC2(O)CCN(CCOc3ccc(O)cc3)CC2)cc1.
What is the InChIKey of 1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]piperidin-4-ol?
The InChIKey is VKMFDKYCIKEDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-17-2-4-18(5-3-17)16-21(24)10-12-22(13-11-21)14-15-25-20-8-6-19(23)7-9-20/h2-9,23-24H,10-16H2,1H3.
What are the key properties of 1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]piperidin-4-ol?
1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]piperidin-4-ol has a molecular weight of 341.45 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 6918409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).