4-[2-[4-(1-naphthalen-2-ylethyl)piperidin-1-yl]ethoxy]phenol

C25H29NO2 — CID 70081398

IUPAC4-[2-[4-(1-naphthalen-2-ylethyl)piperidin-1-yl]ethoxy]phenol
SMILESCC(c1ccc2ccccc2c1)C1CCN(CCOc2ccc(O)cc2)CC1
InChIInChI=1S/C25H29NO2/c1-19(22-7-6-21-4-2-3-5-23(21)18-22)20-12-14-26(15-13-20)16-17-28-25-10-8-24(27)9-11-25/h2-11,18-20,27H,12-17H2,1H3
InChIKeyHFXNCINPNHSZBB-UHFFFAOYSA-N
MW375.51 g/mol
LogP5.44
Rot. Bonds6

About 4-[2-[4-(1-naphthalen-2-ylethyl)piperidin-1-yl]ethoxy]phenol

4-[2-[4-(1-naphthalen-2-ylethyl)piperidin-1-yl]ethoxy]phenol (PubChem CID 70081398) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is 4-[2-[4-(1-naphthalen-2-ylethyl)piperidin-1-yl]ethoxy]phenol.

Molecular Properties

Compound Name4-[2-[4-(1-naphthalen-2-ylethyl)piperidin-1-yl]ethoxy]phenol
PubChem CID70081398
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC Name4-[2-[4-(1-naphthalen-2-ylethyl)piperidin-1-yl]ethoxy]phenol
SMILESCC(c1ccc2ccccc2c1)C1CCN(CCOc2ccc(O)cc2)CC1
InChIInChI=1S/C25H29NO2/c1-19(22-7-6-21-4-2-3-5-23(21)18-22)20-12-14-26(15-13-20)16-17-28-25-10-8-24(27)9-11-25/h2-11,18-20,27H,12-17H2,1H3
InChIKeyHFXNCINPNHSZBB-UHFFFAOYSA-N
XLogP5.44
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 ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[bis(4-fluorophenyl)methyl]-1-(2-naphthalen-2-yloxyethyl)piperidine
CID 14407118
4-[2-[4-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
CID 23294474
4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803
methyl 1-(2-naphthalen-2-yloxyethyl)piperidine-4-carboxylate
CID 10380866
[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methanamine
CID 28803272
4-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
CID 23294365
1-[[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol
CID 54578724
3,4-difluoro-N-[(4-fluorophenyl)-[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methyl]aniline
CID 19771927
1-[1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidin-4-yl]ethanol
CID 111510943
4-methyl-1-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 2270733
3-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile
CID 103714071
3,3-dimethyl-1-(2-naphthalen-2-yloxyethyl)piperidin-4-amine;hydrochloride
CID 120775156

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(1-naphthalen-2-ylethyl)piperidin-1-yl]ethoxy]phenol?
The IUPAC name of 4-[2-[4-(1-naphthalen-2-ylethyl)piperidin-1-yl]ethoxy]phenol (CID 70081398) is 4-[2-[4-(1-naphthalen-2-ylethyl)piperidin-1-yl]ethoxy]phenol.
What is the SMILES notation for 4-[2-[4-(1-naphthalen-2-ylethyl)piperidin-1-yl]ethoxy]phenol?
The canonical SMILES for 4-[2-[4-(1-naphthalen-2-ylethyl)piperidin-1-yl]ethoxy]phenol is CC(c1ccc2ccccc2c1)C1CCN(CCOc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[2-[4-(1-naphthalen-2-ylethyl)piperidin-1-yl]ethoxy]phenol?
The InChIKey is HFXNCINPNHSZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c1-19(22-7-6-21-4-2-3-5-23(21)18-22)20-12-14-26(15-13-20)16-17-28-25-10-8-24(27)9-11-25/h2-11,18-20,27H,12-17H2,1H3.
What are the key properties of 4-[2-[4-(1-naphthalen-2-ylethyl)piperidin-1-yl]ethoxy]phenol?
4-[2-[4-(1-naphthalen-2-ylethyl)piperidin-1-yl]ethoxy]phenol has a molecular weight of 375.51 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(1-naphthalen-2-ylethyl)piperidin-1-yl]ethoxy]phenol is sourced from PubChem (CID 70081398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).