1-[[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol

C25H29NO2 — CID 54578724

IUPAC1-[[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol
SMILESCC1CCN(CCOc2ccc(Cc3c(O)ccc4ccccc34)cc2)CC1
InChIInChI=1S/C25H29NO2/c1-19-12-14-26(15-13-19)16-17-28-22-9-6-20(7-10-22)18-24-23-5-3-2-4-21(23)8-11-25(24)27/h2-11,19,27H,12-18H2,1H3
InChIKeyKTKMOGSPGCGHEQ-UHFFFAOYSA-N
MW375.51 g/mol
LogP5.25
Rot. Bonds6

About 1-[[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol

1-[[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol (PubChem CID 54578724) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is 1-[[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol
PubChem CID54578724
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC Name1-[[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol
SMILESCC1CCN(CCOc2ccc(Cc3c(O)ccc4ccccc34)cc2)CC1
InChIInChI=1S/C25H29NO2/c1-19-12-14-26(15-13-19)16-17-28-22-9-6-20(7-10-22)18-24-23-5-3-2-4-21(23)8-11-25(24)27/h2-11,19,27H,12-18H2,1H3
InChIKeyKTKMOGSPGCGHEQ-UHFFFAOYSA-N
XLogP5.25
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-yl]oxyethanol
CID 57388624
1-[2-[4-(diphenylphosphorylmethyl)phenoxy]ethyl]-4-methylpiperidine
CID 138377362
4-methyl-1-(4-naphthalen-2-yloxybutyl)piperidine;oxalic acid
CID 2888640
4-[2-[4-(1-naphthalen-2-ylethyl)piperidin-1-yl]ethoxy]phenol
CID 70081398
1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol
CID 9325307
4-methyl-1-[2-(4-piperidin-1-ylphenoxy)ethyl]piperidine
CID 129300113
1-[[2-[(1-methylpiperidin-4-yl)methoxy]naphthalen-1-yl]methyl]naphthalen-2-ol
CID 166589863
1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2298094
4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803
1-[6-hydroxy-1-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]naphthalen-2-yl]piperidin-4-ol
CID 67972760
1-[2-amino-3-fluoro-4-methoxy-5-[[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 87325503
1-[1-[[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]methyl]naphthalen-2-yl]piperidin-4-ol
CID 67987980

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol (CID 54578724) is 1-[[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol is CC1CCN(CCOc2ccc(Cc3c(O)ccc4ccccc34)cc2)CC1.
What is the InChIKey of 1-[[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol?
The InChIKey is KTKMOGSPGCGHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c1-19-12-14-26(15-13-19)16-17-28-22-9-6-20(7-10-22)18-24-23-5-3-2-4-21(23)8-11-25(24)27/h2-11,19,27H,12-18H2,1H3.
What are the key properties of 1-[[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol?
1-[[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol has a molecular weight of 375.51 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol is sourced from PubChem (CID 54578724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).